1.0 2016-06-03 10:21:48 UTC 2026-08-18 18:17:33 UTC sulfaguanole SmallMolecule Sulfaguanole is an organic compound with the formula C12H15N5O3S and an average molecular weight of 309.34 g/mol. Sulfaguanole belongs to the benzenesulfonamides, a subclass of benzene and substituted derivatives within the organic compounds. It is categorized as a benzenoid. This substance is found in or released from healthcare, pharmaceuticals, and veterinary products used as antibiotics. Recorded exposure routes for this compound include inhalation and oral administration. C12H15N5O3S 309.34 309.089560537 N'-(4-aminobenzenesulfonyl)-N-(4,5-dimethyl-1,3-oxazol-2-yl)guanidine N'-(4-aminobenzenesulfonyl)-N-(4,5-dimethyl-1,3-oxazol-2-yl)guanidine 27031-08-9 CC1=C(C)N=C(NC(=N)NS(=O)(=O)C2=CC=C(N)C=C2)O1 InChI=1S/C12H15N5O3S/c1-7-8(2)20-12(15-7)16-11(14)17-21(18,19)10-5-3-9(13)4-6-10/h3-6H,13H2,1-2H3,(H3,14,15,16,17) IJZUQDQOAFUFJY-UHFFFAOYSA-N Organic compounds Benzenoids Benzene and substituted derivatives Benzenesulfonamides Benzenesulfonamides 2,4,5-trisubstituted oxazoles Aniline and substituted anilines Azacyclic compounds Benzenesulfonyl compounds Guanidines Heteroaromatic compounds Hydrocarbon derivatives Organic oxides Organooxygen compounds Organopnictogen compounds Organosulfonic acids and derivatives Oxacyclic compounds Primary amines Sulfonyls 2,4,5-trisubstituted 1,3-oxazole Amine Aniline or substituted anilines Aromatic heteromonocyclic compound Azacycle Azole Benzenesulfonamide Benzenesulfonyl group Guanidine Heteroaromatic compound Hydrocarbon derivative Organic nitrogen compound Organic oxide Organic oxygen compound Organic sulfonic acid or derivatives Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Organosulfonic acid or derivatives Organosulfur compound Oxacycle Oxazole Primary amine Sulfonyl Aromatic heteromonocyclic compounds Detected and Not Quantified logp 1.4 logp 0.92 ALOGPS logs -3.15 ALOGPS solubility 2.20e-01 g/l ALOGPS logp 0.62 ChemAxon pka_strongest_acidic 10.29 ChemAxon pka_strongest_basic 3.2 ChemAxon iupac N'-(4-aminobenzenesulfonyl)-N-(4,5-dimethyl-1,3-oxazol-2-yl)guanidine ChemAxon average_mass 309.34 ChemAxon mono_mass 309.089560537 ChemAxon smiles CC1=C(C)N=C(NC(=N)NS(=O)(=O)C2=CC=C(N)C=C2)O1 ChemAxon formula C12H15N5O3S ChemAxon inchi InChI=1S/C12H15N5O3S/c1-7-8(2)20-12(15-7)16-11(14)17-21(18,19)10-5-3-9(13)4-6-10/h3-6H,13H2,1-2H3,(H3,14,15,16,17) ChemAxon inchikey IJZUQDQOAFUFJY-UHFFFAOYSA-N ChemAxon polar_surface_area 134.1 ChemAxon refractivity 90.01 ChemAxon polarizability 30.81 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 6 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f72a9eaf1f0> 9571041 7845507