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

• ChemBase ID: 301459
• Molecular Formular: C14H13BrN2O3S
• Molecular Mass: 369.23362
• Monoisotopic Mass: 367.98302529
• SMILES: CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)Br
• Canonical SMILES: CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)Br
• InChI: InChI=1S/C14H13BrN2O3S/c1-10(18)16-12-6-8-14(9-7-12)21(19,20)17-13-4-2-11(15)3-5-13/h2-9,17H,1H3,(H,16,18)
• InChIKey: CVLCPLVKJBKMDG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD00861895

CALCULATED PROPERTIES

• Acid pKa: 7.9259086
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.465934
• LogD (pH = 7.4): 2.3686376
• Log P: 2.467374
• Molar Refractivity: 85.376 cm^3
• Polarizability: 32.922104 Å^3
• Polar Surface Area: 75.27 Å^2
• Rotatable Bonds: 3
• 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%