Molecule ID: 56927815

IUPAC Name: 3-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]benzenesulfonate

Description: The molecule is the arenesulfonate formed from 2-amino-6-chloro-4-(3-sulfoanilino)-1,3,5-triazine by loss of a proton from the 3-sulfoanilino moiety. It is an arenesulfonate oxoanion and a diamino-1,3,5-triazine. It is a conjugate base of a 2-amino-6-chloro-4-(3-sulfoanilino)-1,3,5-triazine.

SMILES: N=c1nc(Cl)[nH]c(=Nc2cccc(S(=O)(=O)[O-])c2)[nH]1

SELFIES: [N][=C][N][=C][Branch1][C][Cl][NH1][C][=Branch2][Ring1][Ring2][=N][C][=C][C][=C][C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O-1][=C][Ring1][#Branch2][NH1][Ring2][Ring1][C]

InChI: InChI=1S/C9H8ClN5O3S/c10-7-13-8(11)15-9(14-7)12-5-2-1-3-6(4-5)19(16,17)18/h1-4H,(H,16,17,18)(H3,11,12,13,14,15)/p-1

Molecular Properties:
- Polar Surface Area: 142.0 Ų
- LogP: 1.1