5-Amino-2-(3-cyano-5-fluoro-benzenesulfonyl)-3-(3-chlorophenyl)-thieno[2,3-b]-pyridine
Basic information
- Standard SMILES
N#Cc1cc(F)cc(S(=O)(=O)c2sc3ncc(N)cc3c2-c2cccc(Cl)c2)c1- InChIKey
IBUQVQMKCYQHFD-UHFFFAOYSA-N- Molecular formula
- C20H11ClFN3O2S2
- Average molar mass
- 443.9 g/mol
- Monoisotopic mass
- 442.9965248
Names & identifiers
- Preferred name
- 5-Amino-2-(3-cyano-5-fluoro-benzenesulfonyl)-3-(3-chlorophenyl)-thieno[2,3-b]-pyridine
- IUPAC
- 3-[5-amino-3-(3-chlorophenyl)thieno[2,3-b]pyridin-2-yl]sulfonyl-5-fluorobenzonitrile
Names & synonyms
CHEMBL3403123SCHEMBL3130862IBUQVQMKCYQHFD-UHFFFAOYSA-NBDBM500667335-Amino-2-(3-cyano-5-fluoro-benzenesulfonyl)-3-(3-chlorophenyl)-thieno[2,3-b]-pyridine
Database identifiers
- PubChem CID
- 44546563
- ChEMBL
CHEMBL3403123
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 133 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 755
Related reactions
1 records
Compound notes
Loading…