Basic information
- Standard SMILES
CS(=O)(=O)c1ccc(CCC(=O)C2CCCC2)cc1Cl- InChIKey
JKLYNQIMRINIFA-UHFFFAOYSA-N- Molecular formula
- C15H19ClO3S
- Average molar mass
- 314.8 g/mol
Names & identifiers
- Preferred name
- 3-(3-Chloro-4-methanesulfonyl-phenyl)-1-cyclopentyl-propan-1-one
- IUPAC
- 3-(3-chloro-4-methylsulfonylphenyl)-1-cyclopentylpropan-1-one
Names & synonyms
SCHEMBL1581377JKLYNQIMRINIFA-UHFFFAOYSA-N3-(3-Chloro-4-methanesulfonyl-phenyl)-1-cyclopentyl-propan-1-one
Database identifiers
- PubChem CID
- 58764148
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 59.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 435
Related reactions
3 records
Compound notes
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