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

• ChemBase ID: 301547
• Molecular Formular: C15H13F3N2O3S
• Molecular Mass: 358.3355296
• Monoisotopic Mass: 358.05989795
• SMILES: C(c1ccc(cc1)NS(=O)(=O)c1ccc(cc1)NC(=O)C)(F)(F)F
• Canonical SMILES: CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)C(F)(F)F
• InChI: InChI=1S/C15H13F3N2O3S/c1-10(21)19-12-6-8-14(9-7-12)24(22,23)20-13-4-2-11(3-5-13)15(16,17)18/h2-9,20H,1H3,(H,19,21)
• InChIKey: MCXUOQVZWOFZIQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-{[4-(trifluoromethyl)phenyl]sulfamoyl}phenyl)acetamide
• IUPAC Traditional name: N-(4-{[4-(trifluoromethyl)phenyl]sulfamoyl}phenyl)acetamide
• Synonyms: 4'-[4-(Trifluoromethyl)phenylsulfamoyl]acetanilide

Database IDs

• MDL Number: MFCD00277023

CALCULATED PROPERTIES

• Acid pKa: 7.929778
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.5750427
• LogD (pH = 7.4): 2.478492
• Log P: 2.57647
• Molar Refractivity: 83.7269 cm^3
• Polarizability: 31.274698 Å^3
• Polar Surface Area: 75.27 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37-60
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501

Product Information

• Purity: 97%