Basic information
- Standard SMILES
CCCC(=O)c1c(-c2ccccc2)c2cc(Cl)ccc2c(=O)n1Cc1ccc(S(N)(=O)=O)cc1- InChIKey
LMGKIEKRJHPMKM-UHFFFAOYSA-N- Molecular formula
- C26H23ClN2O4S
- Average molar mass
- 495 g/mol
Names & identifiers
- Preferred name
- 4-(6-chloro-3-butyryl-1-oxo-4-phenyl-1H-isoquinolin-2-ylmethyl)benzenesulfonamide
- IUPAC
- 4-[(3-butanoyl-6-chloro-1-oxo-4-phenylisoquinolin-2-yl)methyl]benzenesulfonamide
Names & synonyms
SCHEMBL1518609LMGKIEKRJHPMKM-UHFFFAOYSA-N4-(6-chloro-3-butyryl-1-oxo-4-phenyl-1H-isoquinolin-2-ylmethyl)benzenesulfonamide
Database identifiers
- PubChem CID
- 10152265
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 898
Related reactions
1 records
Compound notes
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