Basic information
- CAS
735320-37-3- Standard SMILES
O=S(=O)(c1ccc(Cl)nc1)N1CCC(Cc2ccccc2)CC1- InChIKey
XPNCVANGABHEPO-UHFFFAOYSA-N- Molecular formula
- C17H19ClN2O2S
- Average molar mass
- 350.9 g/mol
- Monoisotopic mass
- 350.0855767
Names & identifiers
- Preferred name
- 5-[(4-Benzylpiperidin-1-yl)sulfonyl]-2-chloropyridine
- IUPAC
- 5-(4-benzylpiperidin-1-yl)sulfonyl-2-chloropyridine
Names & synonyms
735320-37-35-[(4-benzylpiperidin-1-yl)sulfonyl]-2-chloropyridine5-(4-Benzyl-piperidine-1-sulfonyl)-2-chloro-pyridine5-(4-benzylpiperidin-1-yl)sulfonyl-2-chloropyridineMFCD039882325-(4-benzylpiperidine-1-sulfonyl)-2-chloropyridineMLS002246389CHEMBL1551726DTXSID701332461HMS3071O07KEB32037AKOS000122918
Show more names
SMR001310004CS-0220284EN300-06263G22180SR-01000044011SR-01000044011-15-[(4-benzyl-1-piperidyl)sulfonyl]-2-chloro-pyridineZ45517100
Database identifiers
- CAS
735320-37-3- PubChem CID
- 2433232
- DTXSID
DTXSID701332461- ChEMBL
CHEMBL1551726
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 58.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 465
Experimental & physicochemical properties
Solubility2.5 [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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