Basic information
- Standard SMILES
Cl.NCCCN(CCCc1ccccc1)S(=O)(=O)c1cccc2cnccc12- InChIKey
UWLQNKDJGOJIRF-UHFFFAOYSA-N- Molecular formula
- C21H26ClN3O2S
- Average molar mass
- 420 g/mol
- Monoisotopic mass
- 419.1434259
Names & identifiers
- Preferred name
- N-[(5-Isoquinolyl)sulfonyl]-N-(3-phenylpropyl)-1,3-propylenediamine hydrochloride
- IUPAC
- N-(3-aminopropyl)-N-(3-phenylpropyl)isoquinoline-5-sulfonamide;hydrochloride
Names & synonyms
SCHEMBL5662626UWLQNKDJGOJIRF-UHFFFAOYSA-NN-[(5-Isoquinolyl)sulfonyl]-N-(3-phenylpropyl)-1,3-propylenediamine hydrochloride
Database identifiers
- PubChem CID
- 11293051
Properties
Computed structural properties
- Topological polar surface area
- 84.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 528
Related reactions
1 records
Compound notes
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