Basic information
- CAS
56621-58-0- Standard SMILES
CS(=O)(=O)c1ccc(C(=O)CN2CCN(c3cccc(Cl)c3)CC2)cc1- InChIKey
QOAXRBDBTCODTE-UHFFFAOYSA-N- Molecular formula
- C19H21ClN2O3S
- Average molar mass
- 392.9 g/mol
- Monoisotopic mass
- 392.0961414
Names & identifiers
- Preferred name
- Ethanone, 2-(4-(3-chlorophenyl)-1-piperazinyl)-1-(4-(methylsulfonyl)phenyl)-
- IUPAC
- 2-[4-(3-chlorophenyl)piperazin-1-yl]-1-(4-methylsulfonylphenyl)ethanone
Names & synonyms
BRN 0898882ETHANONE, 2-(4-(3-CHLOROPHENYL)-1-PIPERAZINYL)-1-(4-(METHYLSULFONYL)PHENYL)-56621-58-0DTXSID002051995-23-02-00241 (Beilstein Handbook Reference)2-(4-(3-Chlorophenyl)-1-piperazinyl)-1-(4-(methylsulfonyl)phenyl)ethanoneRefChem:341376DTXCID501276902-[4-(3-Chlorophenyl)piperazin-1-yl]-1-[4-(methanesulfonyl)phenyl]ethan-1-one
Database identifiers
- CAS
56621-58-0- PubChem CID
- 41950
- DTXSID
DTXSID00205199
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 66.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 576
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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