N-{4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl}acetamide

• ChemBase ID: 179788
• Molecular Formular: C14H16N4O5S
• Molecular Mass: 352.36564
• Monoisotopic Mass: 352.08414063
• SMILES: S(=O)(=O)(Nc1nc(nc(c1)OC)OC)c1ccc(NC(=O)C)cc1
• Canonical SMILES: COc1nc(OC)nc(c1)NS(=O)(=O)c1ccc(cc1)NC(=O)C
• InChI: InChI=1S/C14H16N4O5S/c1-9(19)15-10-4-6-11(7-5-10)24(20,21)18-12-8-13(22-2)17-14(16-12)23-3/h4-8H,1-3H3,(H,15,19)(H,16,17,18)
• InChIKey: WIYOSEJTAADVPJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl}acetamide
• IUPAC Traditional name: N-{4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl}acetamide
• Synonyms: Acetylsulfadimethoxine

Database IDs

• CAS Number: 555-25-9
• PubChem SID: 164235698
• PubChem CID: 473359

CALCULATED PROPERTIES

• Acid pKa: 6.329258
• H Acceptors: 7
• H Donor: 2
• LogD (pH = 5.5): 1.2747378
• LogD (pH = 7.4): 0.59092194
• Log P: 1.3274697
• Molar Refractivity: 87.9169 cm^3
• Polarizability: 33.466793 Å^3
• Polar Surface Area: 119.51 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Pharmacology Properties

• Mechanism of Action: Folic acid biosynthesis antagonist

Product Information

• Application(s): Antibacterial agent