Basic information
- Standard SMILES
COCCS(=O)(=O)c1ccc(C(=CC(C)C)c2cc3cc(F)cnc3n2S(=O)(=O)c2ccccc2)cc1- InChIKey
JPQKAHCIWKPBOI-UHFFFAOYSA-N- Molecular formula
- C27H27FN2O5S2
- Average molar mass
- 542.6 g/mol
Names & identifiers
- Preferred name
- 1-benzenesulfonyl-5-fluoro-2-{1-[4-(2-methoxy-ethanesulfonyl)-phenyl]-3-methyl-but-1-enyl}-1H-pyrrolo[2,3-b]pyridine
- IUPAC
- 1-(benzenesulfonyl)-5-fluoro-2-[1-[4-(2-methoxyethylsulfonyl)phenyl]-3-methylbut-1-enyl]pyrrolo[2,3-b]pyridine
Names & synonyms
SCHEMBL1960805JPQKAHCIWKPBOI-UHFFFAOYSA-N1-benzenesulfonyl-5-fluoro-2-{1-[4-(2-methoxy-ethanesulfonyl)-phenyl]-3-methyl-but-1-enyl}-1H-pyrrolo[2,3-b]pyridine
Database identifiers
- PubChem CID
- 67228551
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 991
Related reactions
3 records
Compound notes
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