N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-chlorobenzenesulfonamide
Basic information
- CAS
1212089-19-4- Standard SMILES
CC(NS(=O)(=O)c1ccccc1Cl)C1CC2CCC1C2- InChIKey
PWLUYWICKNOGTH-UHFFFAOYSA-N- Molecular formula
- C15H20ClNO2S
- Average molar mass
- 313.8 g/mol
- Monoisotopic mass
- 313.0903277
Names & identifiers
- Preferred name
- N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-chlorobenzenesulfonamide
- IUPAC
- N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-chlorobenzenesulfonamide
Names & synonyms
MLS001171186CHEMBL1341074DTXSID201324611HMS2911P17N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-chlorobenzenesulfonamideAKOS0343703581212089-19-4SMR000591476AB00846766-05Z45530652N-[1-(Bicyclo[2.2.1]heptan-2-yl)ethyl]-2-chlorobenzene-1-sulfonamide
Database identifiers
- CAS
1212089-19-4- PubChem CID
- 4834852
- DTXSID
DTXSID201324611- ChEMBL
CHEMBL1341074
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 54.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 447
Experimental & physicochemical properties
Solubility1.1 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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