1-(2-chloro-5-nitrophenyl)sulfonyl-N-(5-methylpyridin-2-yl)piperidine-4-carboxamide
Basic information
- CAS
853340-49-5- Standard SMILES
Cc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cc([N+](=O)[O-])ccc3Cl)CC2)nc1- InChIKey
PWMBVNXGOMXSFR-UHFFFAOYSA-N- Molecular formula
- C18H19ClN4O5S
- Average molar mass
- 438.9 g/mol
- Monoisotopic mass
- 438.0764686
Names & identifiers
- Preferred name
- 1-(2-chloro-5-nitrophenyl)sulfonyl-N-(5-methylpyridin-2-yl)piperidine-4-carboxamide
- IUPAC
- 1-(2-chloro-5-nitrophenyl)sulfonyl-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
Names & synonyms
1-(2-chloro-5-nitrophenyl)sulfonyl-N-(5-methylpyridin-2-yl)piperidine-4-carboxamideMLS002245443CHEMBL1716209DTXSID001332296HMS3076E15AKOS034477014853340-49-5SMR001309095Z594211791-(2-Chloro-5-nitrobenzene-1-sulfonyl)-N-(5-methylpyridin-2-yl)piperidine-4-carboxamide
Database identifiers
- CAS
853340-49-5- PubChem CID
- 4847604
- DTXSID
DTXSID001332296- ChEMBL
CHEMBL1716209
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 134 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 702
Experimental & physicochemical properties
Solubility16 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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