Basic information
- Standard SMILES
CS(=O)(=O)Nc1ccc(-c2cc3c(Br)ccnc3n2S(=O)(=O)c2ccccc2)cc1- InChIKey
VELSUUHLQUPUOR-UHFFFAOYSA-N- Molecular formula
- C20H16BrN3O4S2
- Average molar mass
- 506.4 g/mol
Names & identifiers
- Preferred name
- N-{4-[4-bromo-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]phenyl}methanesulfonamide
- IUPAC
- N-[4-[1-(benzenesulfonyl)-4-bromopyrrolo[2,3-b]pyridin-2-yl]phenyl]methanesulfonamide
Names & synonyms
SCHEMBL4318098VELSUUHLQUPUOR-UHFFFAOYSA-NN-{4-[4-bromo-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]phenyl}methanesulfonamide
Database identifiers
- PubChem CID
- 69001020
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 797
Related reactions
5 records
Compound notes
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