1.0 2010-04-08 22:05:05 UTC 2025-11-18 22:32:45 UTC FDB001745 4-Methoxy-3,3',5-trihydroxybibenzyl 4-methoxy-3,3',5-trihydroxybibenzyl is a member of the class of compounds known as aminobenzenesulfonamides. Aminobenzenesulfonamides are organic compounds containing a benzenesulfonamide moiety with an amine group attached to the benzene ring. 4-methoxy-3,3',5-trihydroxybibenzyl is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 4-methoxy-3,3',5-trihydroxybibenzyl can be found in black crowberry, which makes 4-methoxy-3,3',5-trihydroxybibenzyl a potential biomarker for the consumption of this food product. 4-Amino-N-(3-(1-azepanyl)-2-quinoxalinyl)benzenesulfonamide C20H23N5O2S 397.494 397.157245695 4-amino-N-[3-(azepan-1-yl)quinoxalin-2-yl]benzene-1-sulfonamide 4-amino-N-[3-(azepan-1-yl)quinoxalin-2-yl]benzenesulfonamide 149981-95-3 NC1=CC=C(C=C1)S(=O)(=O)NC1=NC2=CC=CC=C2N=C1N1CCCCCC1 InChI=1S/C20H23N5O2S/c21-15-9-11-16(12-10-15)28(26,27)24-19-20(25-13-5-1-2-6-14-25)23-18-8-4-3-7-17(18)22-19/h3-4,7-12H,1-2,5-6,13-14,21H2,(H,22,24) QXSSXKUBUFTBPN-UHFFFAOYSA-N belongs to the class of organic compounds known as aminobenzenesulfonamides. These are organic compounds containing a benzenesulfonamide moiety with an amine group attached to the benzene ring. Aminobenzenesulfonamides Organic compounds Benzenoids Benzene and substituted derivatives Benzenesulfonamides Aromatic heteropolycyclic compounds Aminopyrazines Aminosulfonyl compounds Aniline and substituted anilines Azacyclic compounds Azepanes Benzenesulfonyl compounds Dialkylarylamines Heteroaromatic compounds Hydrocarbon derivatives Imidolactams Organic oxides Organopnictogen compounds Organosulfonamides Primary amines Quinoxalines Amine Aminobenzenesulfonamide Aminopyrazine Aminosulfonyl compound Aniline or substituted anilines Aromatic heteropolycyclic compound Azacycle Azepane Benzenesulfonyl group Dialkylarylamine Diazanaphthalene Heteroaromatic compound Hydrocarbon derivative Imidolactam Organic nitrogen compound Organic oxide Organic oxygen compound Organic sulfonic acid or derivatives Organoheterocyclic compound Organonitrogen compound Organopnictogen compound Organosulfonic acid amide Organosulfonic acid or derivatives Organosulfur compound Primary amine Pyrazine Quinoxaline Sulfonyl logp 3.56 ALOGPS logs -3.99 ALOGPS solubility 4.10e-02 g/l ALOGPS logp 3.55 ChemAxon pka_strongest_acidic 6.59 ChemAxon pka_strongest_basic 2.13 ChemAxon iupac 4-amino-N-[3-(azepan-1-yl)quinoxalin-2-yl]benzene-1-sulfonamide ChemAxon average_mass 397.494 ChemAxon mono_mass 397.157245695 ChemAxon smiles NC1=CC=C(C=C1)S(=O)(=O)NC1=NC2=CC=CC=C2N=C1N1CCCCCC1 ChemAxon formula C20H23N5O2S ChemAxon inchi InChI=1S/C20H23N5O2S/c21-15-9-11-16(12-10-15)28(26,27)24-19-20(25-13-5-1-2-6-14-25)23-18-8-4-3-7-17(18)22-19/h3-4,7-12H,1-2,5-6,13-14,21H2,(H,22,24) ChemAxon inchikey QXSSXKUBUFTBPN-UHFFFAOYSA-N ChemAxon polar_surface_area 101.21 ChemAxon refractivity 110.78 ChemAxon polarizability 42.18 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 6 ChemAxon donor_count 2 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 69819 Specdb::MsMs 69820 Specdb::MsMs 69821 Specdb::MsMs 128178 Specdb::MsMs 128179 Specdb::MsMs 128180 Specdb::MsMs 3598301 Specdb::MsMs 3598302 Specdb::MsMs 3598303 Specdb::MsMs 3598304 Specdb::MsMs 3598305 Specdb::MsMs 3598306 Black crowberry Type 1 specific Empetrum nigrum 191066