Basic information
- Standard SMILES
CC(C)C1CC(=O)C(C(=O)NS(=O)(=O)c2ccc(Cl)cc2)C(=O)C1- InChIKey
FYOURVVFOKJSGV-UHFFFAOYSA-N- Molecular formula
- C16H18ClNO5S
- Average molar mass
- 371.8 g/mol
- Monoisotopic mass
- 371.0594215
Names & identifiers
- Preferred name
- 2-(N-p-CHLOROBENZENESULFONYLCARBAMOYL)-5-ISOPROPYL-1,3-CYCLOHEXANEDIONE
- IUPAC
- N-(4-chlorophenyl)sulfonyl-2,6-dioxo-4-propan-2-ylcyclohexane-1-carboxamide
Names & synonyms
SCHEMBL11579464FYOURVVFOKJSGV-UHFFFAOYSA-N2-(N-p-CHLOROBENZENESULFONYLCARBAMOYL)-5-ISOPROPYL-1,3-CYCLOHEXANEDIONE
Database identifiers
- PubChem CID
- 20325613
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 599
Related reactions
3 records
Compound notes
Loading…