Basic information
- Standard SMILES
C[C@H](CNCCc1ccccc1Cl)NS(=O)(=O)c1ccc2cnccc2c1- InChIKey
XTONFAWNHXLCDZ-OAHLLOKOSA-N- Molecular formula
- C20H22ClN3O2S
- Average molar mass
- 403.9 g/mol
Names & identifiers
- Preferred name
- (R)-N-{1-(2-chlorophenethylamino)propan-2-yl}isoquinoline-6-sulfonamide
- IUPAC
- N-[(2R)-1-[2-(2-chlorophenyl)ethylamino]propan-2-yl]isoquinoline-6-sulfonamide
Names & synonyms
SCHEMBL15311171XTONFAWNHXLCDZ-OAHLLOKOSA-N(R)-N-{1-(2-chlorophenethylamino)propan-2-yl}isoquinoline-6-sulfonamide
Database identifiers
- PubChem CID
- 86699366
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 79.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 554
Related reactions
1 records
Compound notes
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