Basic information
- Standard SMILES
CN[C@H]1CCN(S(=O)(=O)c2cccc3c(O)ncc(Cl)c23)C1- InChIKey
JHXULSWKCSFZGL-VIFPVBQESA-N- Molecular formula
- C14H16ClN3O3S
- Average molar mass
- 341.8 g/mol
- Monoisotopic mass
- 341.0600902
Names & identifiers
- Preferred name
- (S)-1-(1-Hydroxy-4-chloro-5-isoquinolinesulfonyl)-3-(methylamino)pyrrolidine
- IUPAC
- 4-chloro-5-[(3S)-3-(methylamino)pyrrolidin-1-yl]sulfonyl-2H-isoquinolin-1-one
Names & synonyms
SCHEMBL2004250JHXULSWKCSFZGL-VIFPVBQESA-N(S)-1-(1-Hydroxy-4-chloro-5-isoquinolinesulfonyl)-3-(methylamino)pyrrolidine
Database identifiers
- PubChem CID
- 67244352
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 86.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 587
Related reactions
1 records
Compound notes
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