2-(2-chlorophenyl)-2-phenylethane-1-sulfonyl chloride

• ChemBase ID: 76195
• Molecular Formular: C14H12Cl2O2S
• Molecular Mass: 315.21488
• Monoisotopic Mass: 313.99350598
• SMILES: S(=O)(=O)(CC(c1c(cccc1)Cl)c1ccccc1)Cl
• Canonical SMILES: Clc1ccccc1C(c1ccccc1)CS(=O)(=O)Cl
• InChI: InChI=1S/C14H12Cl2O2S/c15-14-9-5-4-8-12(14)13(10-19(16,17)18)11-6-2-1-3-7-11/h1-9,13H,10H2
• InChIKey: IUVNCPUXUXDWNE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-chlorophenyl)-2-phenylethane-1-sulfonyl chloride
• IUPAC Traditional name: 2-(2-chlorophenyl)-2-phenylethanesulfonyl chloride
• Synonyms: 2-(2-Chlorophenyl)-2-phenylethylsulphonyl chloride

Database IDs

• MDL Number: MFCD01631949
• PubChem SID: 162041103
• PubChem CID: 3283341

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.073168
• LogD (pH = 7.4): 4.073168
• Log P: 4.073168
• Molar Refractivity: 78.966 cm^3
• Polarizability: 31.546305 Å^3
• Polar Surface Area: 34.14 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Corrosive