2-chloro-N-(4-sulfamoylphenyl)acetamide

• ChemBase ID: 229368
• Molecular Formular: C8H9ClN2O3S
• Molecular Mass: 248.68666
• Monoisotopic Mass: 248.00224084
• SMILES: S(=O)(=O)(c1ccc(NC(=O)CCl)cc1)N
• Canonical SMILES: ClCC(=O)Nc1ccc(cc1)S(=O)(=O)N
• InChI: InChI=1S/C8H9ClN2O3S/c9-5-8(12)11-6-1-3-7(4-2-6)15(10,13)14/h1-4H,5H2,(H,11,12)(H2,10,13,14)
• InChIKey: WBDDNKFSVVIFOG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-(4-sulfamoylphenyl)acetamide
• IUPAC Traditional name: 2-chloro-N-(4-sulfamoylphenyl)acetamide
• Synonyms: 2-chloro-N-(4-sulfamoylphenyl)acetamide

Database IDs

• CAS Number: 14949-01-0
• MDL Number: MFCD00034074
• PubChem SID: 164285278
• PubChem CID: 352299

CALCULATED PROPERTIES

• Acid pKa: 10.269274
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.35432422
• LogD (pH = 7.4): 0.35381112
• Log P: 0.35433075
• Molar Refractivity: 57.8321 cm^3
• Polarizability: 22.456055 Å^3
• Polar Surface Area: 89.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 155 - 157°C
• Hydrophobicity(logP): 0.259

Product Information

• Purity: 95%