N-(2-fluorophenyl)benzenesulfonamide

• ChemBase ID: 301717
• Molecular Formular: C12H10FNO2S
• Molecular Mass: 251.2767032
• Monoisotopic Mass: 251.04162779
• SMILES: c1ccc(cc1)S(=O)(=O)Nc1ccccc1F
• Canonical SMILES: Fc1ccccc1NS(=O)(=O)c1ccccc1
• InChI: InChI=1S/C12H10FNO2S/c13-11-8-4-5-9-12(11)14-17(15,16)10-6-2-1-3-7-10/h1-9,14H
• InChIKey: MKRQPKPFOBVGFY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-fluorophenyl)benzenesulfonamide
• IUPAC Traditional name: N-(2-fluorophenyl)benzenesulfonamide
• Synonyms: N-(2-Fluorophenyl)benzenesulfonamide

Database IDs

• MDL Number: MFCD00859237

CALCULATED PROPERTIES

• Acid pKa: 8.483647
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.6032138
• LogD (pH = 7.4): 2.5732586
• Log P: 2.6036131
• Molar Refractivity: 63.1066 cm^3
• Polarizability: 24.87296 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%