1.0 2010-04-08 22:10:42 UTC 2015-07-20 22:59:00 UTC FDB013416 Metosulam Selective post-emergence herbicide used on cereals against broad-leaved weeds DE 511 Metosulam Metosulam [iso] N-(2,6-Dichloro-3-methylphenyl)-5,7-dimethoxy[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide, 9CI XDE 511 XRD 511 C14H13Cl2N5O4S 418.255 417.006530033 N-(2,6-dichloro-3-methylphenyl)-5,7-dimethoxy-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide metosulam 139528-85-1 COC1=NC2=NC(=NN2C(OC)=C1)S(=O)(=O)NC1=C(Cl)C=CC(C)=C1Cl InChI=1S/C14H13Cl2N5O4S/c1-7-4-5-8(15)12(11(7)16)20-26(22,23)14-18-13-17-9(24-2)6-10(25-3)21(13)19-14/h4-6,20H,1-3H3 VGHPMIFEKOFHHQ-UHFFFAOYSA-N belongs to the class of organic compounds known as 1,2,4-triazolopyrimidine-2-sulfonanilides. These are polycyclic aromatic compounds containing a 1,2,4-triazolo[1,5-a]pyrimidine ring system, which is substituted with a sulfonanilide at the 2-position. 1,2,4-triazolopyrimidine-2-sulfonanilides Organic compounds Organoheterocyclic compounds Triazolopyrimidines 1,2,4-triazolopyrimidine-2-sulfonamides Aromatic heteropolycyclic compounds Alkyl aryl ethers Aminosulfonyl compounds Aryl chlorides Azacyclic compounds Dichlorobenzenes Heteroaromatic compounds Hydrocarbon derivatives Organic oxides Organochlorides Organonitrogen compounds Organopnictogen compounds Organosulfonamides Pyrimidines and pyrimidine derivatives Sulfanilides Toluenes Triazoles 1,2,4-triazole 1,2,4-triazolopyrimidine-2-sulfonanilide 1,3-dichlorobenzene Alkyl aryl ether Aminosulfonyl compound Aromatic heteropolycyclic compound Aryl chloride Aryl halide Azacycle Azole Benzenoid Chlorobenzene Ether Halobenzene Heteroaromatic compound Hydrocarbon derivative Monocyclic benzene moiety Organic nitrogen compound Organic oxide Organic oxygen compound Organic sulfonic acid or derivatives Organochloride Organohalogen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Organosulfonic acid amide Organosulfonic acid or derivatives Organosulfur compound Pyrimidine Sulfanilide Sulfonyl Toluene Triazole Anilide herbicides sulfonamide logp 3.76 ALOGPS logs -4.32 ALOGPS solubility 2.00e-02 g/l ALOGPS melting_point Mp 224-226° (210-211.5°) logp 3.47 ChemAxon pka_strongest_acidic 8.79 ChemAxon pka_strongest_basic -3.5 ChemAxon iupac N-(2,6-dichloro-3-methylphenyl)-5,7-dimethoxy-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide ChemAxon average_mass 418.255 ChemAxon mono_mass 417.006530033 ChemAxon smiles COC1=NC2=NC(=NN2C(OC)=C1)S(=O)(=O)NC1=C(Cl)C=CC(C)=C1Cl ChemAxon formula C14H13Cl2N5O4S ChemAxon inchi InChI=1S/C14H13Cl2N5O4S/c1-7-4-5-8(15)12(11(7)16)20-26(22,23)14-18-13-17-9(24-2)6-10(25-3)21(13)19-14/h4-6,20H,1-3H3 ChemAxon inchikey VGHPMIFEKOFHHQ-UHFFFAOYSA-N ChemAxon polar_surface_area 107.71 ChemAxon refractivity 107.53 ChemAxon polarizability 39.17 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 7 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 24367 Specdb::CMs 137201 Specdb::CMs 144935 Specdb::MsMs 75168 Specdb::MsMs 75169 Specdb::MsMs 75170 Specdb::MsMs 134754 Specdb::MsMs 134755 Specdb::MsMs 134756 Specdb::MsMs 436430 Specdb::MsMs 436431 Specdb::MsMs 436432 Specdb::MsMs 436433 Specdb::MsMs 436434 Specdb::MsMs 436435 Specdb::MsMs 443875 Specdb::MsMs 443876 Specdb::MsMs 443877 Specdb::MsMs 443878 Specdb::MsMs 443879 Specdb::MsMs 443880 Specdb::MsMs 2226956 Specdb::MsMs 2234099 Specdb::MsMs 2234854 Specdb::MsMs 2252871 Specdb::MsMs 2253620 Specdb::MsMs 2254947 Specdb::MsMs 2255604 HMDB34850 #<Reference:0x000055ce320577a0>