1-(4-Chlorophenyl)-2-(phenylsulfonyl)ethanone
Basic information
- CAS
38488-19-6- Standard SMILES
O=C(CS(=O)(=O)c1ccccc1)c1ccc(Cl)cc1- InChIKey
KZACHGLUJYSTGQ-UHFFFAOYSA-N- Molecular formula
- C14H11ClO3S
- Average molar mass
- 294.8 g/mol
- Monoisotopic mass
- 294.0117431
Names & identifiers
- Preferred name
- 1-(4-Chlorophenyl)-2-(phenylsulfonyl)ethanone
- IUPAC
- 2-(benzenesulfonyl)-1-(4-chlorophenyl)ethanone
- English name
- 4-Chlorophenyl(2-oxo-2-phenylethyl) sulfone
- Molecular formula
- C14H11ClO3S
- Molecular weight
- 294.75
Names & synonyms
38488-19-61-(4-Chlorophenyl)-2-(phenylsulfonyl)ethanone2-(benzenesulfonyl)-1-(4-chlorophenyl)ethanone2-(benzenesulfonyl)-1-(4-chlorophenyl)ethan-1-one1-(4-chlorophenyl)-2-(phenylsulfonyl)-1-ethanoneMFCD00202182CHEMBL238834Ethanone, 1-(4-chlorophenyl)-2-(phenylsulfonyl)-1-(4-chlorophenyl)-2-(phenylsulfonyl)ethan-1-oneV3S6WW4VL8SCHEMBL10931021DTXSID70877403
Show more names
4-Chlorophenacylphenyl sulfoneβ-Oxo-4-chlorophenethylphenyl sulfoneα-(4-Chlorophenylsulfonyl)acetophenoneα-(Phenylsulfonyl)-4'-chloroacetophenone[2-Oxo-2-(4-chlorophenyl)ethyl]phenyl sulfone
KZACHGLUJYSTGQ-UHFFFAOYSA-NBDBM50212531CCG-43075AKOS0033101537H-330SPD1789654-Chlorophenyl(2-oxo-2-phenylethyl) sulfoneST50308734
Database identifiers
- CAS
38488-19-6- PubChem CID
- 586971
- DTXSID
DTXSID70877403- ChEMBL
CHEMBL238834- UNII
- V3S6WW4VL8
- Nikkaji
- J304.487D
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 59.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 399
Physicochemical properties
- Melting point
- 125 · 125-127 °C(Solv: dichloromethane (75-09-2); hexane (110-54-3))
- Boiling point
- 513.6 · 513.6±46.0 °C(Predicted)
- Density
- 1.345 · 1.345±0.06 g/cm3(Predicted)
- FDA UNII
- 3 S6WW4VL8 · V3S6WW4VL8
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Compound notes
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