2-chloro-N-{3-[methyl(phenyl)sulfamoyl]phenyl}acetamide

• ChemBase ID: 229294
• Molecular Formular: C15H15ClN2O3S
• Molecular Mass: 338.8092
• Monoisotopic Mass: 338.04919103
• SMILES: S(=O)(=O)(N(c1ccccc1)C)c1cc(NC(=O)CCl)ccc1
• Canonical SMILES: ClCC(=O)Nc1cccc(c1)S(=O)(=O)N(c1ccccc1)C
• InChI: InChI=1S/C15H15ClN2O3S/c1-18(13-7-3-2-4-8-13)22(20,21)14-9-5-6-12(10-14)17-15(19)11-16/h2-10H,11H2,1H3,(H,17,19)
• InChIKey: SZWHNNIMDJTBKV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-{3-[methyl(phenyl)sulfamoyl]phenyl}acetamide
• IUPAC Traditional name: 2-chloro-N-{3-[methyl(phenyl)sulfamoyl]phenyl}acetamide
• Synonyms: 2-Chloro-N-[3-(methyl-phenyl-sulfamoyl)-phenyl]-acetamide

Database IDs

• MDL Number: MFCD03150313
• PubChem SID: 164285204
• PubChem CID: 3688336

CALCULATED PROPERTIES

• Acid pKa: 12.95832
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.4596412
• LogD (pH = 7.4): 2.4596403
• Log P: 2.4596415
• Molar Refractivity: 87.4031 cm^3
• Polarizability: 33.770355 Å^3
• Polar Surface Area: 66.48 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 96 - 98°C
• Hydrophobicity(logP): 2.888

Product Information

• Purity: 95%