1-(3-Chlorophenyl)-4-(phenylsulfonyl)piperazine
Basic information
- CAS
305337-05-7- Standard SMILES
O=S(=O)(c1ccccc1)N1CCN(c2cccc(Cl)c2)CC1- InChIKey
KJSHPOWMVFEPIZ-UHFFFAOYSA-N- Molecular formula
- C16H17ClN2O2S
- Average molar mass
- 336.8 g/mol
- Monoisotopic mass
- 336.0699267
Names & identifiers
- Preferred name
- 1-(3-Chlorophenyl)-4-(phenylsulfonyl)piperazine
- IUPAC
- 1-(benzenesulfonyl)-4-(3-chlorophenyl)piperazine
- English name
- 1-(3-chlorophenyl)-4-(phenylsulfonyl)piperazine
- Molecular formula
- C16H17ClN2O2S
- Molecular weight
- 336.84
Names & synonyms
1-(benzenesulfonyl)-4-(3-chlorophenyl)piperazine1-(3-chlorophenyl)-4-(phenylsulfonyl)piperazine1-Benzenesulfonyl-4-(3-chloro-phenyl)-piperazineOprea1_245712Oprea1_654483MLS001213063CHEMBL1470389SCHEMBL20887055HMS2816F10STK018079AKOS000545683SMR000515653
Show more names
Piperazine, 1-(3-chlorophenyl)-4-(phenylsulfonyl)-
ST010892AG-690/11634482SR-01000477971SR-01000477971-1Z45536125
Database identifiers
- CAS
305337-05-7- PubChem CID
- 710994
- ChEMBL
CHEMBL1470389- EC Number
- 169-520-4
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 49 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 451
Experimental & physicochemical properties
Solubility3.8 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Boiling point
- 512.5 · 512.5±60.0 °C(Predicted)
- Density
- 1.336 · 1.336±0.06 g/cm3(Predicted)
- pka
- 3.83 · 3.83±0.40(Predicted)
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Compound notes
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