Basic information
- Standard SMILES
CNC1CCN(S(=O)(=O)c2cccc3c(N)ncc(Cl)c23)C1- InChIKey
JNKGGTUMOSXDMO-UHFFFAOYSA-N- Molecular formula
- C14H17ClN4O2S
- Average molar mass
- 340.8 g/mol
Names & identifiers
- Preferred name
- (r/s)-1-(1-Amino-4-chloro-5-isoquinolinesulfonyl)-3-(methylamino)pyrrolidine
- IUPAC
- 4-chloro-5-[3-(methylamino)pyrrolidin-1-yl]sulfonylisoquinolin-1-amine
Names & synonyms
SCHEMBL2001180JNKGGTUMOSXDMO-UHFFFAOYSA-N(r/s)-1-(1-amino-4-chloro-5-isoquinolinesulfonyl)-3-(methylamino)pyrrolidine
Database identifiers
- PubChem CID
- 67243276
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 96.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 498
Related reactions
3 records
Compound notes
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