<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2010-04-08 22:09:29 UTC</creation_date>
  <update_date>2025-11-18 23:24:52 UTC</update_date>
  <accession>FDB011140</accession>
  <name>Sulfaquinoxaline</name>
  <description>Antimicrobial, coccidiostat for vet. use. Potential food contaminant in animal products arising from its veterinary use.</description>
  <synonyms>
    <synonym>2-(p-Aminobenzene)sulfonamidoquinoxaline</synonym>
    <synonym>2-(p-Sulfanilamido)quinoxaline</synonym>
    <synonym>2-p-Aminobenzenesulfonamidoquinoxaline</synonym>
    <synonym>2-p-Aminobenzenesulphonamidoquinoxaline</synonym>
    <synonym>2-Sulfanilamidobenzopyrazine</synonym>
    <synonym>2-Sulfanilamidoquinoxaline</synonym>
    <synonym>4-Amino-N-(2-quinoxalinyl)benzenesulfonamide</synonym>
    <synonym>4-amino-N-2-Quinoxalinyl-benzenesulfonamide</synonym>
    <synonym>4-Amino-N-2-quinoxalinylbenzenesulfonamide, 9CI</synonym>
    <synonym>Anti-k</synonym>
    <synonym>Avicocid</synonym>
    <synonym>Aviochina</synonym>
    <synonym>Benzenesulfonamide, 4-amino-N-2-quinoxalinyl-</synonym>
    <synonym>Compound 3-120</synonym>
    <synonym>Embazin</synonym>
    <synonym>Italquina</synonym>
    <synonym>Kokozigal</synonym>
    <synonym>Kokozigal S</synonym>
    <synonym>N-(2-Quinoxalinyl)sulfanilamide</synonym>
    <synonym>N-(2-Quinoxalinyl)sulfanilide</synonym>
    <synonym>N'-(2-Quinoxalyl)sulfanilamide</synonym>
    <synonym>N'-2-Quinoxalylsulfanilamide</synonym>
    <synonym>N1-(2-Quinoxalinyl)sulfanilamide</synonym>
    <synonym>N1-2-Quinoxalinyl-sulfanilamide</synonym>
    <synonym>N1-2-Quinoxalinyl, sulfanilamide</synonym>
    <synonym>Nococcin</synonym>
    <synonym>Quinoxipra C</synonym>
    <synonym>S. q. "40 per cent"</synonym>
    <synonym>S. q. 40 per cent</synonym>
    <synonym>SQX</synonym>
    <synonym>Sulfa-Q</synonym>
    <synonym>Sulfa-q 20</synonym>
    <synonym>Sulfabenzpyrazine</synonym>
    <synonym>Sulfachinoxalin</synonym>
    <synonym>Sulfacox</synonym>
    <synonym>Sulfaline</synonym>
    <synonym>Sulfanilamide, N(sup 1)-2-quinoxalinyl-</synonym>
    <synonym>Sulfanilamide, N(sup1)-2-quinoxalinyl-</synonym>
    <synonym>Sulfanilamide, N1-2-quinoxalinyl- (8CI)</synonym>
    <synonym>Sulfaquinoxalin</synonym>
    <synonym>Sulfaquinoxalina</synonym>
    <synonym>Sulfaquinoxaline</synonym>
    <synonym>Sulfaquinoxaline, BAN, INN</synonym>
    <synonym>Sulfaquinoxalinum</synonym>
    <synonym>Sulphaquinoxaline</synonym>
    <synonym>Sulquin</synonym>
    <synonym>Sulquin 6-50 concentrate (veterinary)</synonym>
    <synonym>Ursokoxaline</synonym>
  </synonyms>
  <chemical_formula>C14H12N4O2S</chemical_formula>
  <average_molecular_weight>300.336</average_molecular_weight>
  <monisotopic_moleculate_weight>300.068096338</monisotopic_moleculate_weight>
  <iupac_name>4-amino-N-(quinoxalin-2-yl)benzene-1-sulfonamide</iupac_name>
  <traditional_iupac>sulfaquinoxaline</traditional_iupac>
  <cas_registry_number>59-40-5</cas_registry_number>
  <smiles>NC1=CC=C(C=C1)S(=O)(=O)NC1=NC2=C(C=CC=C2)N=C1</smiles>
  <inchi>InChI=1S/C14H12N4O2S/c15-10-5-7-11(8-6-10)21(19,20)18-14-9-16-12-3-1-2-4-13(12)17-14/h1-9H,15H2,(H,17,18)</inchi>
  <inchikey>NHZLNPMOSADWGC-UHFFFAOYSA-N</inchikey>
  <taxonomy>
    <description> belongs to the class of organic compounds known as quinoxalines. Quinoxalines are compounds containing a quinoxaline moiety, a bicyclic heterocycle made up of a benzene ring fused to a pyrazine ring.</description>
    <direct_parent>Quinoxalines</direct_parent>
    <kingdom>Organic compounds</kingdom>
    <super_class>Organoheterocyclic compounds</super_class>
    <class>Diazanaphthalenes</class>
    <sub_class>Benzodiazines</sub_class>
    <molecular_framework>Aromatic heteropolycyclic compounds</molecular_framework>
    <alternative_parents>
      <alternative_parent>Aniline and substituted anilines</alternative_parent>
      <alternative_parent>Azacyclic compounds</alternative_parent>
      <alternative_parent>Benzenesulfonamides</alternative_parent>
      <alternative_parent>Benzenesulfonyl compounds</alternative_parent>
      <alternative_parent>Heteroaromatic compounds</alternative_parent>
      <alternative_parent>Hydrocarbon derivatives</alternative_parent>
      <alternative_parent>Imidolactams</alternative_parent>
      <alternative_parent>Organic oxides</alternative_parent>
      <alternative_parent>Organopnictogen compounds</alternative_parent>
      <alternative_parent>Organosulfonic acids and derivatives</alternative_parent>
      <alternative_parent>Primary amines</alternative_parent>
      <alternative_parent>Pyrazines</alternative_parent>
      <alternative_parent>Sulfonyls</alternative_parent>
    </alternative_parents>
    <substituents>
      <substituent>Amine</substituent>
      <substituent>Aniline or substituted anilines</substituent>
      <substituent>Aromatic heteropolycyclic compound</substituent>
      <substituent>Azacycle</substituent>
      <substituent>Benzenesulfonamide</substituent>
      <substituent>Benzenesulfonyl group</substituent>
      <substituent>Benzenoid</substituent>
      <substituent>Heteroaromatic compound</substituent>
      <substituent>Hydrocarbon derivative</substituent>
      <substituent>Imidolactam</substituent>
      <substituent>Monocyclic benzene moiety</substituent>
      <substituent>Organic nitrogen compound</substituent>
      <substituent>Organic oxide</substituent>
      <substituent>Organic oxygen compound</substituent>
      <substituent>Organic sulfonic acid or derivatives</substituent>
      <substituent>Organonitrogen compound</substituent>
      <substituent>Organopnictogen compound</substituent>
      <substituent>Organosulfonic acid or derivatives</substituent>
      <substituent>Organosulfur compound</substituent>
      <substituent>Primary amine</substituent>
      <substituent>Pyrazine</substituent>
      <substituent>Quinoxaline</substituent>
      <substituent>Sulfonyl</substituent>
    </substituents>
    <external_descriptors>
    </external_descriptors>
  </taxonomy>
  <state/>
  <predicted_properties>
    <property>
      <kind>logp</kind>
      <value>1.24</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logs</kind>
      <value>-3.60</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>solubility</kind>
      <value>7.61e-02 g/l</value>
      <source>ALOGPS</source>
    </property>
  </predicted_properties>
  <experimental_properties>
    <property>
      <kind>melting_point</kind>
      <value>Mp 247-248°</value>
    </property>
  </experimental_properties>
  <property>
    <kind>logp</kind>
    <value>1.55</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>pka_strongest_acidic</kind>
    <value>6.79</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>pka_strongest_basic</kind>
    <value>2.13</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>iupac</kind>
    <value>4-amino-N-(quinoxalin-2-yl)benzene-1-sulfonamide</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>average_mass</kind>
    <value>300.336</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>mono_mass</kind>
    <value>300.068096338</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>smiles</kind>
    <value>NC1=CC=C(C=C1)S(=O)(=O)NC1=NC2=C(C=CC=C2)N=C1</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>formula</kind>
    <value>C14H12N4O2S</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>inchi</kind>
    <value>InChI=1S/C14H12N4O2S/c15-10-5-7-11(8-6-10)21(19,20)18-14-9-16-12-3-1-2-4-13(12)17-14/h1-9H,15H2,(H,17,18)</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>inchikey</kind>
    <value>NHZLNPMOSADWGC-UHFFFAOYSA-N</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>polar_surface_area</kind>
    <value>97.97</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>refractivity</kind>
    <value>79.3</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>polarizability</kind>
    <value>29.46</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>rotatable_bond_count</kind>
    <value>2</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>acceptor_count</kind>
    <value>5</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>donor_count</kind>
    <value>2</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>physiological_charge</kind>
    <value>-1</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>formal_charge</kind>
    <value>0</value>
    <source>ChemAxon</source>
  </property>
  <pathways>
  </pathways>
  <spectra>
    <spectrum>
      <type>Specdb::CMs</type>
      <spectrum_id>9619</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::CMs</type>
      <spectrum_id>29885</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::CMs</type>
      <spectrum_id>101308</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::CMs</type>
      <spectrum_id>157173</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>46752</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>46753</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>46754</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>116292</spectrum_id>
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    <spectrum>
      <type>Specdb::MsMs</type>
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    <spectrum>
      <type>Specdb::MsMs</type>
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    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>2235930</spectrum_id>
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    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>2237435</spectrum_id>
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    <spectrum>
      <type>Specdb::MsMs</type>
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    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>2239568</spectrum_id>
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    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>2240162</spectrum_id>
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    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>2240279</spectrum_id>
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    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>2241443</spectrum_id>
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    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>2241533</spectrum_id>
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    <spectrum>
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    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>2326488</spectrum_id>
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      <spectrum_id>2612954</spectrum_id>
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    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>2612955</spectrum_id>
    </spectrum>
  </spectra>
  <hmdb_id>HMDB33139</hmdb_id>
  <pubchem_compound_id/>
  <chemspider_id/>
  <kegg_id/>
  <chebi_id/>
  <biocyc_id/>
  <het_id/>
  <wikipidia/>
  <vmh_id/>
  <fbonto_id/>
  <foodb_id/>
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  <foods>
  </foods>
  <flavors>
  </flavors>
  <enzymes>
  </enzymes>
  <health_effects>
  </health_effects>
</compound>
