N-[4-(cyclopentylsulfamoyl)phenyl]acetamide

• ChemBase ID: 301209
• Molecular Formular: C13H18N2O3S
• Molecular Mass: 282.35862
• Monoisotopic Mass: 282.10381345
• SMILES: CC(=O)Nc1ccc(cc1)S(=O)(=O)NC1CCCC1
• Canonical SMILES: CC(=O)Nc1ccc(cc1)S(=O)(=O)NC1CCCC1
• InChI: InChI=1S/C13H18N2O3S/c1-10(16)14-11-6-8-13(9-7-11)19(17,18)15-12-4-2-3-5-12/h6-9,12,15H,2-5H2,1H3,(H,14,16)
• InChIKey: HLPQSOXNZKVGRM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[4-(cyclopentylsulfamoyl)phenyl]acetamide
• IUPAC Traditional name: N-[4-(cyclopentylsulfamoyl)phenyl]acetamide
• Synonyms: 4'-(Cyclopentylsulfamoyl)acetanilide

Database IDs

• MDL Number: MFCD00577468

CALCULATED PROPERTIES

• Acid pKa: 10.213204
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.3953575
• LogD (pH = 7.4): 1.3947738
• Log P: 1.3953649
• Molar Refractivity: 74.3888 cm^3
• Polarizability: 28.987932 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%