Basic information
- Standard SMILES
NCCNS(=O)(=O)c1cc(-c2cccc(C(F)F)c2)cc2cnccc12- InChIKey
VUZWMCAYCVKHFP-UHFFFAOYSA-N- Molecular formula
- C18H17F2N3O2S
- Average molar mass
- 377.4 g/mol
Names & identifiers
- Preferred name
- 7-(3-Difluoromethylphenyl)-isoquinoline-5-sulfonic acid (2-amino-ethyl)-amide
- IUPAC
- N-(2-aminoethyl)-7-[3-(difluoromethyl)phenyl]isoquinoline-5-sulfonamide
Names & synonyms
7-(3-difluoromethylphenyl)-isoquinoline-5-sulfonic acid (2-amino-ethyl)-amideSCHEMBL29915153
Database identifiers
- PubChem CID
- 11280346
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 93.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 555
Related reactions
3 records
Compound notes
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