N-[4-(dibutylsulfamoyl)phenyl]acetamide

• ChemBase ID: 301702
• Molecular Formular: C16H26N2O3S
• Molecular Mass: 326.45424
• Monoisotopic Mass: 326.1664137
• SMILES: CC(=O)Nc1ccc(cc1)S(=O)(=O)N(CCCC)CCCC
• Canonical SMILES: CCCCN(S(=O)(=O)c1ccc(cc1)NC(=O)C)CCCC
• InChI: InChI=1S/C16H26N2O3S/c1-4-6-12-18(13-7-5-2)22(20,21)16-10-8-15(9-11-16)17-14(3)19/h8-11H,4-7,12-13H2,1-3H3,(H,17,19)
• InChIKey: YRDNEENPWZJPDS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD00495902

CALCULATED PROPERTIES

• Acid pKa: 13.478736
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.912137
• LogD (pH = 7.4): 2.9121368
• Log P: 2.912137
• Molar Refractivity: 90.6195 cm^3
• Polarizability: 35.217026 Å^3
• Polar Surface Area: 66.48 Å^2
• Rotatable Bonds: 8
• 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%