Basic information
- CAS
667912-23-4- Standard SMILES
CC1CCCCN1S(=O)(=O)c1ccc(-c2ccc(Cl)cc2)cc1- InChIKey
RDBLCGJCGFWABY-UHFFFAOYSA-N- Molecular formula
- C18H20ClNO2S
- Average molar mass
- 349.9 g/mol
- Monoisotopic mass
- 349.0903277
Names & identifiers
- Preferred name
- 1-[(4'-Chloro[1,1'-biphenyl]-4-yl)sulfonyl]-2-methylpiperidine
- IUPAC
- 1-[4-(4-chlorophenyl)phenyl]sulfonyl-2-methylpiperidine
- English name
- 1-[(4'-chloro[1,1'-biphenyl]-4-yl)sulfonyl]-2-methylpiperidine
- Molecular formula
- C18H20ClNO2S
- Molecular weight
- 349.8749
Names & synonyms
1-[(4'-chloro[1,1'-biphenyl]-4-yl)sulfonyl]-2-methylpiperidine1-[4-(4-chlorophenyl)phenyl]sulfonyl-2-methylpiperidineAQ-750/41789666
Database identifiers
- CAS
667912-23-4- PubChem CID
- 3876192
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 474
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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