1-{[3-(Chloromethyl)phenyl]sulfonyl}piperidine
Basic information
- Standard SMILES
O=S(=O)(c1cccc(CCl)c1)N1CCCCC1- InChIKey
BXANKEPFWIJQJD-UHFFFAOYSA-N- Molecular formula
- C12H16ClNO2S
- Average molar mass
- 273.78 g/mol
- Monoisotopic mass
- 273.0590276
Names & identifiers
- Preferred name
- 1-{[3-(Chloromethyl)phenyl]sulfonyl}piperidine
- IUPAC
- 1-[3-(chloromethyl)phenyl]sulfonylpiperidine
Names & synonyms
SCHEMBL1001472BXANKEPFWIJQJD-UHFFFAOYSA-NAKOS0150855761-{[3-(chloromethyl)phenyl]sulfonyl}piperidine
Database identifiers
- PubChem CID
- 65745463
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 333
Related reactions
2 records
Compound notes
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