Molecule ID: 66895

IUPAC Name: 4-[(2,4-diaminophenyl)diazenyl]benzenesulfonamide

Description: The molecule is a diphenyldiazene compound having two amino substituents at the 2- and 4-positions and an aminosulphonyl substituent at the 4'-position. It was the first antibacterial drug, (introduced 1935) and the first of the sulfonamide antibiotics. It has a role as an antimicrobial agent and an antibacterial drug. It is a member of azobenzenes and a sulfonamide. It derives from a sulfanilamide.

SMILES: Nc1ccc(N=Nc2ccc(S(N)(=O)=O)cc2)c(N)c1

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

InChI: InChI=1S/C12H13N5O2S/c13-8-1-6-12(11(14)7-8)17-16-9-2-4-10(5-3-9)20(15,18)19/h1-7H,13-14H2,(H2,15,18,19)

Molecular Properties:
- Polar Surface Area: 145.0 Ų
- LogP: 0.9