Basic information
- CAS
850349-11-0- Standard SMILES
O=C(COc1ccc(Cl)cc1Cl)N1CCN(S(=O)(=O)c2ccccc2)CC1- InChIKey
FBHJNHQATNSYMM-UHFFFAOYSA-N- Molecular formula
- C18H18Cl2N2O4S
- Average molar mass
- 429.3 g/mol
- Monoisotopic mass
- 428.0364336
Names & identifiers
- Preferred name
- 2-(2,4-Dichlorophenoxy)-1-[4-(phenylsulfonyl)-1-piperazinyl]ethanone
- IUPAC
- 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(2,4-dichlorophenoxy)ethanone
Names & synonyms
DTXSID8011591452-(2,4-Dichlorophenoxy)-1-[4-(phenylsulfonyl)-1-piperazinyl]ethanoneAKOS008350558850349-11-01-[4-(Benzenesulfonyl)piperazin-1-yl]-2-(2,4-dichlorophenoxy)ethan-1-one
Database identifiers
- CAS
850349-11-0- PubChem CID
- 3908481
- DTXSID
DTXSID801159145
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 75.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 599
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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