N-(4-chlorophenyl)-1-methylsulfonylpiperidine-4-carboxamide
Basic information
- CAS
693233-91-9- Standard SMILES
CS(=O)(=O)N1CCC(C(=O)Nc2ccc(Cl)cc2)CC1- InChIKey
XSVCEBBMABROJT-UHFFFAOYSA-N- Molecular formula
- C13H17ClN2O3S
- Average molar mass
- 316.8 g/mol
- Monoisotopic mass
- 316.0648413
Names & identifiers
- Preferred name
- N-(4-chlorophenyl)-1-methylsulfonylpiperidine-4-carboxamide
- IUPAC
- N-(4-chlorophenyl)-1-methylsulfonylpiperidine-4-carboxamide
Names & synonyms
693233-91-9N-(4-chlorophenyl)-1-methylsulfonylpiperidine-4-carboxamideN-(4-chlorophenyl)-1-(methylsulfonyl)piperidine-4-carboxamideN-(4-CHLOROPHENYL)-1-METHANESULFONYLPIPERIDINE-4-CARBOXAMIDEF5139-0387MLS001206269CHEMBL1412459DTXSID901333053HMS2824L10SMSSF-00332531-Methanesulfonyl-piperidine-4-carboxylic acid (4-chloro-phenyl)-amideSTK891593
Show more names
AKOS000439620SMR000524167VU0043724-3N-p-chlorophenyl-1-mesyl-4-piperidinecarboxamideN-(4-Chlorophenyl)-1-(methanesulfonyl)piperidine-4-carboxamide
Database identifiers
- CAS
693233-91-9- PubChem CID
- 892073
- DTXSID
DTXSID901333053- ChEMBL
CHEMBL1412459
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 74.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 433
Experimental & physicochemical properties
Solubility13.4 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…