2,2-diphenylethane-1-sulfonyl chloride

• ChemBase ID: 76194
• Molecular Formular: C14H13ClO2S
• Molecular Mass: 280.76982
• Monoisotopic Mass: 280.03247834
• SMILES: S(=O)(=O)(CC(c1ccccc1)c1ccccc1)Cl
• Canonical SMILES: ClS(=O)(=O)CC(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C14H13ClO2S/c15-18(16,17)11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14H,11H2
• InChIKey: DYESDWUOAPVIIV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2-diphenylethane-1-sulfonyl chloride
• IUPAC Traditional name: 2,2-diphenylethanesulfonyl chloride
• Synonyms: Benzhydrylmethylsulphonyl chloride; 2,2-Diphenylethylsulphonyl chloride

Database IDs

• CAS Number: 71351-01-4
• MDL Number: MFCD02089493
• PubChem SID: 162041102
• PubChem CID: 3806087

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.4691231
• LogD (pH = 7.4): 3.4691231
• Log P: 3.4691231
• Molar Refractivity: 74.1612 cm^3
• Polarizability: 29.655495 Å^3
• Polar Surface Area: 34.14 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Corrosive/Moisture Sensitive/Store under Argon