N-{4-[(4-sulfamoylphenyl)sulfamoyl]phenyl}acetamide

• ChemBase ID: 179816
• Molecular Formular: C14H15N3O5S2
• Molecular Mass: 369.416
• Monoisotopic Mass: 369.0453126
• SMILES: S(=O)(=O)(Nc1ccc(S(=O)(=O)N)cc1)c1ccc(NC(=O)C)cc1
• Canonical SMILES: CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)S(=O)(=O)N
• InChI: InChI=1S/C14H15N3O5S2/c1-10(18)16-11-2-8-14(9-3-11)24(21,22)17-12-4-6-13(7-5-12)23(15,19)20/h2-9,17H,1H3,(H,16,18)(H2,15,19,20)
• InChIKey: IKBKDGPFPCGKQQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{4-[(4-sulfamoylphenyl)sulfamoyl]phenyl}acetamide
• IUPAC Traditional name: N-{4-[(4-sulfamoylphenyl)sulfamoyl]phenyl}acetamide
• Synonyms: Acetyldisulfanilamide

Database IDs

• CAS Number: 56444-82-7
• PubChem SID: 164235726
• PubChem CID: 1809402

CALCULATED PROPERTIES

• Acid pKa: 7.5785613
• H Acceptors: 5
• H Donor: 3
• LogD (pH = 5.5): 0.30145603
• LogD (pH = 7.4): 0.11522661
• Log P: 0.30465224
• Molar Refractivity: 89.9111 cm^3
• Polarizability: 35.451794 Å^3
• Polar Surface Area: 135.43 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Pharmacology Properties

• Mechanism of Action: Folic acid biosynthesis antagonist

Product Information

• Application(s): Antiseptic