1.0 2026-09-21 15:44:37 UTC 2026-09-21 15:44:37 UTC FDB116672 TRIBENURON-METHYL methyl 2-[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-methyl-carbamoyl]sulfamoyl]benzoate methyl 2-[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-methylcarbamoyl]sulfamoyl]benzoate C15H17N5O6S 395.39 395.089953991 methyl 2-({[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)(methyl)carbamoyl]amino}sulfonyl)benzoate tribenuron methyl COC(=O)C1=CC=CC=C1S(=O)(=O)NC(=O)N(C)C1=NC(C)=NC(OC)=N1 InChI=1S/C15H17N5O6S/c1-9-16-13(18-14(17-9)26-4)20(2)15(22)19-27(23,24)11-8-6-5-7-10(11)12(21)25-3/h5-8H,1-4H3,(H,19,22) VLCQZHSMCYCDJL-UHFFFAOYSA-N belongs to the class of organic compounds known as s-triazinyl-2-sulfonylureas. These are aromatic heterocyclic compounds containing a s-triazine ring which is substituted with a urea at the ring 2-position. S-triazinyl-2-sulfonylureas Organic compounds Organic nitrogen compounds Organonitrogen compounds Sulfonylureas Aromatic heteromonocyclic compounds 2-methoxy-1,3,5-triazines Alkyl aryl ethers Aminosulfonyl compounds Azacyclic compounds Benzenesulfonamides Benzenesulfonyl compounds Benzoic acid esters Benzoyl derivatives Carbonyl compounds Heteroaromatic compounds Hydrocarbon derivatives Methyl esters Monocarboxylic acids and derivatives N-aliphatic s-triazines Organic carbonic acids and derivatives Organic oxides Organopnictogen compounds Organosulfonic acids and derivatives 1,3,5-triazine 2-methoxy-1,3,5-triazine Alkoxy-s-triazine Alkyl aryl ether Amino-1,3,5-triazine Aminosulfonyl compound Aromatic heteromonocyclic compound Azacycle Benzenesulfonamide Benzenesulfonyl group Benzenoid Benzoate ester Benzoic acid or derivatives Benzoyl Carbonic acid derivative Carbonyl group Carboxylic acid derivative Carboxylic acid ester Ether Heteroaromatic compound Hydrocarbon derivative Methyl ester Monocarboxylic acid or derivatives Monocyclic benzene moiety N-aliphatic s-triazine Organic oxide Organic oxygen compound Organic sulfonic acid or derivatives Organoheterocyclic compound Organooxygen compound Organopnictogen compound Organosulfonic acid or derivatives Organosulfur compound S-triazinyl-2-sulfonylurea Sulfonyl Triazine N-sulfonylurea methoxy-1,3,5-triazine methyl ester logp 1.07 ALOGPS logs -4.22 ALOGPS solubility 2.38e-02 g/l ALOGPS logp 1.95 ChemAxon pka_strongest_acidic 3.41 ChemAxon pka_strongest_basic -1 ChemAxon iupac methyl 2-({[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)(methyl)carbamoyl]amino}sulfonyl)benzoate ChemAxon average_mass 395.39 ChemAxon mono_mass 395.089953991 ChemAxon smiles COC(=O)C1=CC=CC=C1S(=O)(=O)NC(=O)N(C)C1=NC(C)=NC(OC)=N1 ChemAxon formula C15H17N5O6S ChemAxon inchi InChI=1S/C15H17N5O6S/c1-9-16-13(18-14(17-9)26-4)20(2)15(22)19-27(23,24)11-8-6-5-7-10(11)12(21)25-3/h5-8H,1-4H3,(H,19,22) ChemAxon inchikey VLCQZHSMCYCDJL-UHFFFAOYSA-N ChemAxon polar_surface_area 140.68 ChemAxon refractivity 95.5 ChemAxon polarizability 37.35 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 8 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::NmrOneD 3470 Specdb::NmrOneD 3614 Specdb::MsMs 79323 Specdb::MsMs 79324 Specdb::MsMs 79325 Specdb::MsMs 139884 Specdb::MsMs 139885 Specdb::MsMs 139886