2-(4-fluorophenyl)ethane-1-sulfonyl chloride

• ChemBase ID: 812254
• Molecular Formular: C8H8ClFO2S
• Molecular Mass: 222.6643232
• Monoisotopic Mass: 221.9917564
• SMILES: C(Cc1ccc(cc1)F)S(=O)(=O)Cl
• Canonical SMILES: Fc1ccc(cc1)CCS(=O)(=O)Cl
• InChI: InChI=1S/C8H8ClFO2S/c9-13(11,12)6-5-7-1-3-8(10)4-2-7/h1-4H,5-6H2
• InChIKey: YPVFLPWWOHVBBO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-fluorophenyl)ethane-1-sulfonyl chloride
• IUPAC Traditional name: 2-(4-fluorophenyl)ethanesulfonyl chloride
• Synonyms: 2-(4-FLUORO-PHENYL)-ETHANESULFONYL CHLORIDE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.1130483
• LogD (pH = 7.4): 2.1130483
• Log P: 2.1130483
• Molar Refractivity: 49.811 cm^3
• Polarizability: 19.867178 Å^3
• Polar Surface Area: 34.14 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%