1-[(4-chlorophenyl)sulfonyl]tetrahydro-4(1H)-pyridinone
Basic information
- CAS
156634-92-3- Standard SMILES
O=C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1- InChIKey
MBFQWKZGVWXLGM-UHFFFAOYSA-N- Molecular formula
- C11H12ClNO3S
- Average molar mass
- 273.74 g/mol
- Monoisotopic mass
- 273.0226421
Names & identifiers
- Preferred name
- 1-[(4-chlorophenyl)sulfonyl]tetrahydro-4(1H)-pyridinone
- IUPAC
- 1-(4-chlorophenyl)sulfonylpiperidin-4-one
- English name
- 1-[(4-chlorophenyl)sulfonyl]piperidin-4-one
- Molecular formula
- C11H12ClNO3S
- Molecular weight
- 273.74
Names & synonyms
156634-92-31-[(4-chlorophenyl)sulfonyl]tetrahydro-4(1H)-pyridinone1-((4-Chlorophenyl)sulfonyl)piperidin-4-one1-(4-chlorophenyl)sulfonylpiperidin-4-one1-[(4-Chlorophenyl)sulfonyl]piperidin-4-oneMFCD041251554-Piperidinone, 1-[(4-chlorophenyl)sulfonyl]-SMR000672541Bionet2_0015601-(4-chlorobenzenesulfonyl)piperidin-4-one1-[(4-Chlorophenyl)sulphonyl]piperidin-4-oneMLS001099683
Show more names
1-(4-chlorophenyl)sulfonyl-4-piperidone1-(4-chlorophenyl)sulfonyl-4-piperidinone
MLS004883431SCHEMBL3308066CHEMBL1545604DTXSID00391829HMS1368I04HMS2995L05ALBB-019626AKOS000171942
Database identifiers
- CAS
156634-92-3- PubChem CID
- 3364429
- DTXSID
DTXSID00391829- ChEMBL
CHEMBL1545604
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 62.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 372
Experimental & physicochemical properties
Solubility>41.1 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Melting point
- 158 · 158~160℃
- Boiling point
- 434 · 434.0±55.0 °C(Predicted)
- Density
- 1.416 · 1.416±0.06 g/cm3(Predicted)
- pka
- -7.85 · -7.85±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H315-H319-H335
- Precautionary statements
- 260 · P260-P280-P312
- HS Code
- 2933399990 · 2933399990
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2933399990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302+H312+H332-H315-H319-H335
- Precautionary statements
- P260-P280-P312
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Related reactions
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Compound notes
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