N-{4-[(propan-2-yl)sulfamoyl]phenyl}acetamide

• ChemBase ID: 301253
• Molecular Formular: C11H16N2O3S
• Molecular Mass: 256.32134
• Monoisotopic Mass: 256.08816338
• SMILES: CC(=O)Nc1ccc(cc1)S(=O)(=O)NC(C)C
• Canonical SMILES: CC(NS(=O)(=O)c1ccc(cc1)NC(=O)C)C
• InChI: InChI=1S/C11H16N2O3S/c1-8(2)13-17(15,16)11-6-4-10(5-7-11)12-9(3)14/h4-8,13H,1-3H3,(H,12,14)
• InChIKey: IADDQBQLLLTVFG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{4-[(propan-2-yl)sulfamoyl]phenyl}acetamide
• IUPAC Traditional name: N-[4-(isopropylsulfamoyl)phenyl]acetamide
• Synonyms: 4'-(Isopropylsulfamoyl)acetanilide

Database IDs

• MDL Number: MFCD00577470

CALCULATED PROPERTIES

• Acid pKa: 10.214944
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.8140386
• LogD (pH = 7.4): 0.8134573
• Log P: 0.814046
• Molar Refractivity: 67.143 cm^3
• Polarizability: 26.03896 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%