Molecule ID: 12134865

IUPAC Name: 2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylbenzoic acid

Description: The molecule is a 4-ethoxy-3-carboxybenzenesulfonamide in which the sulfonamide nitrogen is a member of a piperazine ring. It is a sulfonamide and a member of piperazines. It derives from a benzoic acid.

SMILES: CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)O

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

InChI: InChI=1S/C14H20N2O5S/c1-3-21-13-5-4-11(10-12(13)14(17)18)22(19,20)16-8-6-15(2)7-9-16/h4-5,10H,3,6-9H2,1-2H3,(H,17,18)

Molecular Properties:
- Polar Surface Area: 95.5 Ų
- LogP: -1.5