Basic information
- CAS
291292-14-3- Standard SMILES
O=S(=O)(c1ccc(Cl)cc1)N1CCC(Cc2ccccc2)CC1- InChIKey
FDOUWHOQTJKHEX-UHFFFAOYSA-N- Molecular formula
- C18H20ClNO2S
- Average molar mass
- 349.9 g/mol
- Monoisotopic mass
- 349.0903277
Names & identifiers
- Preferred name
- 4-Benzyl-1-[(4-chlorophenyl)sulfonyl]piperidine
- IUPAC
- 4-benzyl-1-(4-chlorophenyl)sulfonylpiperidine
- English name
- 4-benzyl-1-[(4-chlorophenyl)sulfonyl]piperidine
- Molecular formula
- C18H20ClNO2S
- Molecular weight
- 349.87
Names & synonyms
4-benzyl-1-[(4-chlorophenyl)sulfonyl]piperidineCHEMBL23910744-benzyl-1-(4-chlorophenyl)sulfonylpiperidineOprea1_458555SCHEMBL5915300BDBM50435876STK040778AKOS001648332CCG-110365291292-14-3ST0105124-chloro-1-{[4-benzylpiperidyl]sulfonyl}benzene
Show more names
Piperidine, 1-[(4-chlorophenyl)sulfonyl]-4-(phenylmethyl)-
4-benzyl-1-(4-chloro-benzenesulfonyl)-piperidineAK-968/11164164SR-010004780724-benzyl-1-(4-chlorobenzene-1-sulfonyl)piperidineSR-01000478072-14-BENZYL-1-(4-CHLOROBENZENESULFONYL)PIPERIDINE
Database identifiers
- CAS
291292-14-3- PubChem CID
- 710407
- ChEMBL
CHEMBL2391074- EC Number
- 141-505-7
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 454
Physicochemical properties
- Boiling point
- 484.8 · 484.8±47.0 °C(Predicted)
- Density
- 1.272 · 1.272±0.06 g/cm3(Predicted)
- pka
- -5.11 · -5.11±0.40(Predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P273, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAquatic Chronic 4 (100%)
Chemistry & industry
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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