Basic information
- Standard SMILES
Cc1cc(NS(=O)(=O)c2cccc(Cl)c2)c2c(Br)c(-c3cn[nH]c3)sc2n1- InChIKey
KAKWOCMYXHRKET-UHFFFAOYSA-N- Molecular formula
- C17H12BrClN4O2S2
- Average molar mass
- 483.8 g/mol
- Monoisotopic mass
- 481.92736
Names & identifiers
- Preferred name
- N-[3-bromo-6-methyl-2-(1H-pyrazol-4-yl)thieno[2,3-b]pyridin-4-yl]-3-chlorobenzenesulfonamide
- IUPAC
- N-[3-bromo-6-methyl-2-(1H-pyrazol-4-yl)thieno[2,3-b]pyridin-4-yl]-3-chlorobenzenesulfonamide
Names & synonyms
SCHEMBL12600917KAKWOCMYXHRKET-UHFFFAOYSA-NN-[3-bromo-6-methyl-2-(1H-pyrazol-4-yl)thieno[2,3-b]pyridin-4-yl]-3-chlorobenzenesulfonamide
Database identifiers
- PubChem CID
- 68324082
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 637
Related reactions
4 records
Compound notes
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