{4-[4-bromo-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]phenyl}dimethylamine
Basic information
- Standard SMILES
CN(C)c1ccc(-c2cc3c(Br)ccnc3n2S(=O)(=O)c2ccccc2)cc1- InChIKey
PFBCTCQETFCOHA-UHFFFAOYSA-N- Molecular formula
- C21H18BrN3O2S
- Average molar mass
- 456.4 g/mol
Names & identifiers
- Preferred name
- {4-[4-bromo-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]phenyl}dimethylamine
- IUPAC
- 4-[1-(benzenesulfonyl)-4-bromopyrrolo[2,3-b]pyridin-2-yl]-N,N-dimethylaniline
Names & synonyms
SCHEMBL4318163PFBCTCQETFCOHA-UHFFFAOYSA-N{4-[4-bromo-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]phenyl}dimethylamine
Database identifiers
- PubChem CID
- 69001048
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 624
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Related reactions
5 records
Compound notes
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