Molecule ID: 56927814

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

Description: The molecule is a diamino-1,3,5-triazine with the amino groups situated at C-2 and C-4 and with a chloro group at C-6; the amino group at C-4 is substituted with a 2-sulfophenyl group. It is a diamino-1,3,5-triazine and an arenesulfonic acid. It is a conjugate acid of a 2-amino-6-chloro-4-(3-sulfonatoanilino)-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][=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)

Molecular Properties:
- Polar Surface Area: 140.0 Ų
- LogP: 1.2