Basic information
- Standard SMILES
CC1(C)CCNC(=O)C(NS(=O)(=O)c2ccc(Cl)cc2)C1- InChIKey
YIFDROJMFHTRFD-UHFFFAOYSA-N- Molecular formula
- C14H19ClN2O3S
- Average molar mass
- 330.8 g/mol
- Monoisotopic mass
- 330.0804913
Names & identifiers
- Preferred name
- 4-chloro-N-(5,5-dimethyl-2-oxoazepan-3-yl)benzenesulfonamide
- IUPAC
- 4-chloro-N-(5,5-dimethyl-2-oxoazepan-3-yl)benzenesulfonamide
Names & synonyms
SCHEMBL5562336
Database identifiers
- PubChem CID
- 69489221
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 83.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 479
Related reactions
3 records
Compound notes
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