N-(4-{[4-fluoro-3-(trifluoromethyl)phenyl]sulfamoyl}phenyl)acetamide

• ChemBase ID: 301456
• Molecular Formular: C15H12F4N2O3S
• Molecular Mass: 376.3259928
• Monoisotopic Mass: 376.05047613
• SMILES: C(c1cc(ccc1F)NS(=O)(=O)c1ccc(cc1)NC(=O)C)(F)(F)F
• Canonical SMILES: CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(c(c1)C(F)(F)F)F
• InChI: InChI=1S/C15H12F4N2O3S/c1-9(22)20-10-2-5-12(6-3-10)25(23,24)21-11-4-7-14(16)13(8-11)15(17,18)19/h2-8,21H,1H3,(H,20,22)
• InChIKey: VLFUGPOZRDMSNU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-{[4-fluoro-3-(trifluoromethyl)phenyl]sulfamoyl}phenyl)acetamide
• IUPAC Traditional name: N-(4-{[4-fluoro-3-(trifluoromethyl)phenyl]sulfamoyl}phenyl)acetamide
• Synonyms: 4'-[4-Fluoro-3-(trifluoromethyl)phenylsulfamoyl]acetanilide

Database IDs

• MDL Number: MFCD22683131

CALCULATED PROPERTIES

• Acid pKa: 7.9473157
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.7178009
• LogD (pH = 7.4): 2.6245697
• Log P: 2.719172
• Molar Refractivity: 83.9433 cm^3
• Polarizability: 31.113857 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%