N-(2,4-difluorophenyl)benzenesulfonamide

• ChemBase ID: 301474
• Molecular Formular: C12H9F2NO2S
• Molecular Mass: 269.2671664
• Monoisotopic Mass: 269.03220597
• SMILES: c1ccc(cc1)S(=O)(=O)Nc1ccc(cc1F)F
• Canonical SMILES: Fc1ccc(c(c1)F)NS(=O)(=O)c1ccccc1
• InChI: InChI=1S/C12H9F2NO2S/c13-9-6-7-12(11(14)8-9)15-18(16,17)10-4-2-1-3-5-10/h1-8,15H
• InChIKey: AVPDAUWMNISMRW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2,4-difluorophenyl)benzenesulfonamide
• IUPAC Traditional name: N-(2,4-difluorophenyl)benzenesulfonamide
• Synonyms: N-(2,4-Difluorophenyl)benzenesulfonamide

Database IDs

• MDL Number: MFCD01213711

CALCULATED PROPERTIES

• Acid pKa: 8.548027
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.7459707
• LogD (pH = 7.4): 2.719986
• Log P: 2.746315
• Molar Refractivity: 63.323 cm^3
• Polarizability: 24.626097 Å^3
• Polar Surface Area: 46.17 Å^2
• Rotatable Bonds: 2
• 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%