N-[2-(propan-2-yl)phenyl]benzenesulfonamide

• ChemBase ID: 301619
• Molecular Formular: C15H17NO2S
• Molecular Mass: 275.36598
• Monoisotopic Mass: 275.09799979
• SMILES: CC(C)c1ccccc1NS(=O)(=O)c1ccccc1
• Canonical SMILES: CC(c1ccccc1NS(=O)(=O)c1ccccc1)C
• InChI: InChI=1S/C15H17NO2S/c1-12(2)14-10-6-7-11-15(14)16-19(17,18)13-8-4-3-5-9-13/h3-12,16H,1-2H3
• InChIKey: WRCQNJCVNSDCDE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(propan-2-yl)phenyl]benzenesulfonamide
• IUPAC Traditional name: N-(2-isopropylphenyl)benzenesulfonamide
• Synonyms: N-(2-Isopropylphenyl)benzenesulfonamide

Database IDs

• MDL Number: MFCD01986033

CALCULATED PROPERTIES

• Acid pKa: 7.8660073
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.7042677
• LogD (pH = 7.4): 3.5947912
• Log P: 3.7059202
• Molar Refractivity: 77.081 cm^3
• Polarizability: 30.632479 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%