Molecule ID: 102196664

IUPAC Name: 2-[2-[(4-aminophenyl)sulfonylamino]-1,3-thiazol-5-yl]acetic acid

Description: The molecule is a sulfonamide consisting of 1,3-thiazol-5-ylacetic acid with a 4-aminobenzenesulfonamido group at the thiazole 2-position. It has a role as a hapten. It is a sulfonamide and a monocarboxylic acid.

SMILES: Nc1ccc(S(=O)(=O)Nc2ncc(CC(=O)O)s2)cc1

SELFIES: [N][C][=C][C][=C][Branch2][Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=N][C][=C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][S][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring1]

InChI: InChI=1S/C11H11N3O4S2/c12-7-1-3-9(4-2-7)20(17,18)14-11-13-6-8(19-11)5-10(15)16/h1-4,6H,5,12H2,(H,13,14)(H,15,16)

Molecular Properties:
- Polar Surface Area: 159.0 Ų
- LogP: 0.6