N-[4-(dipropylsulfamoyl)phenyl]acetamide

• ChemBase ID: 301377
• Molecular Formular: C14H22N2O3S
• Molecular Mass: 298.40108
• Monoisotopic Mass: 298.13511357
• SMILES: CC(=O)Nc1ccc(cc1)S(=O)(=O)N(CCC)CCC
• Canonical SMILES: CCCN(S(=O)(=O)c1ccc(cc1)NC(=O)C)CCC
• InChI: InChI=1S/C14H22N2O3S/c1-4-10-16(11-5-2)20(18,19)14-8-6-13(7-9-14)15-12(3)17/h6-9H,4-5,10-11H2,1-3H3,(H,15,17)
• InChIKey: RSKJZTBKLIORJO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[4-(dipropylsulfamoyl)phenyl]acetamide
• IUPAC Traditional name: N-[4-(dipropylsulfamoyl)phenyl]acetamide
• Synonyms: 4'-(Di-n-propylsulfamoyl)acetanilide

Database IDs

• MDL Number: MFCD00577457

CALCULATED PROPERTIES

• Acid pKa: 13.478739
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.0229998
• LogD (pH = 7.4): 2.0229995
• Log P: 2.0229998
• Molar Refractivity: 81.4175 cm^3
• Polarizability: 31.542315 Å^3
• Polar Surface Area: 66.48 Å^2
• Rotatable Bonds: 6
• 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%