Molecule ID: 114821

IUPAC Name: 4-(hydroxyamino)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide

Description: The molecule is a sulfonamide compound having a 4-hydroxylaminophenyl group attached to the sulfur atom and a 1,2-oxazol-3-yl group attached to the nitrogen atom. It has a role as a metabolite and an allergen. It is a sulfonamide and a member of isoxazoles. It derives from a sulfamethoxazole and a sulfanilamide.

SMILES: Cc1cc(NS(=O)(=O)c2ccc(NO)cc2)no1

SELFIES: [C][C][=C][C][Branch2][Ring1][Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][N][O][C][=C][Ring1][Branch2][=N][O][Ring1][P]

InChI: InChI=1S/C10H11N3O4S/c1-7-6-10(12-17-7)13-18(15,16)9-4-2-8(11-14)3-5-9/h2-6,11,14H,1H3,(H,12,13)

Molecular Properties:
- Polar Surface Area: 113.0 Ų
- LogP: 1.1