N-[4-(hexylsulfamoyl)phenyl]acetamide

• ChemBase ID: 301575
• Molecular Formular: C14H22N2O3S
• Molecular Mass: 298.40108
• Monoisotopic Mass: 298.13511357
• SMILES: CC(=O)Nc1ccc(cc1)S(=O)(=O)NCCCCCC
• Canonical SMILES: CCCCCCNS(=O)(=O)c1ccc(cc1)NC(=O)C
• InChI: InChI=1S/C14H22N2O3S/c1-3-4-5-6-11-15-20(18,19)14-9-7-13(8-10-14)16-12(2)17/h7-10,15H,3-6,11H2,1-2H3,(H,16,17)
• InChIKey: NZSVNJHEGIKNHK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[4-(hexylsulfamoyl)phenyl]acetamide
• IUPAC Traditional name: N-[4-(hexylsulfamoyl)phenyl]acetamide
• Synonyms: 4'-(n-Hexylsulfamoyl)acetanilide

Database IDs

• MDL Number: MFCD00577453

CALCULATED PROPERTIES

• Acid pKa: 10.223484
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.2536922
• LogD (pH = 7.4): 2.253122
• Log P: 2.2536993
• Molar Refractivity: 81.0512 cm^3
• Polarizability: 31.542501 Å^3
• Polar Surface Area: 75.27 Å^2
• Rotatable Bonds: 7
• 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%