Molecule ID: 17134

IUPAC Name: 4-amino-N-(5,6-dimethoxypyrimidin-4-yl)benzenesulfonamide

Description: The molecule is a sulfonamide consisting of pyrimidine having methoxy substituents at the 5- and 6-positions and a 4-aminobenzenesulfonamido group at the 4-position. In combination with the antiprotozoal pyrimethamine (CHEBI:8673) it is used as an antimalarial. It has a role as an antibacterial drug and an antimalarial. It is a sulfonamide and a member of pyrimidines.

SMILES: COc1ncnc(NS(=O)(=O)c2ccc(N)cc2)c1OC

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

InChI: InChI=1S/C12H14N4O4S/c1-19-10-11(14-7-15-12(10)20-2)16-21(17,18)9-5-3-8(13)4-6-9/h3-7H,13H2,1-2H3,(H,14,15,16)

Molecular Properties:
- Polar Surface Area: 125.0 Ų
- LogP: 0.7