N-(1-phenylethyl)benzenesulfonamide

• ChemBase ID: 299187
• Molecular Formular: C14H15NO2S
• Molecular Mass: 261.3394
• Monoisotopic Mass: 261.08234973
• SMILES: CC(c1ccccc1)NS(=O)(=O)c1ccccc1
• Canonical SMILES: CC(c1ccccc1)NS(=O)(=O)c1ccccc1
• InChI: InChI=1S/C14H15NO2S/c1-12(13-8-4-2-5-9-13)15-18(16,17)14-10-6-3-7-11-14/h2-12,15H,1H3
• InChIKey: WFKSWLOBWYMBJK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1-phenylethyl)benzenesulfonamide
• IUPAC Traditional name: N-(1-phenylethyl)benzenesulfonamide
• Synonyms: N-(1-Phenylethyl)benzenesulfonamide

Database IDs

• CAS Number: 1146-47-0
• MDL Number: MFCD00444976
• PubChem SID: 180684718
• PubChem CID: 99969

CALCULATED PROPERTIES

• Acid pKa: 10.902775
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.9439993
• LogD (pH = 7.4): 2.9438798
• Log P: 2.9440007
• Molar Refractivity: 72.144 cm^3
• Polarizability: 28.871733 Å^3
• Polar Surface Area: 46.17 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%