1h-Pyrrolo[2,3-b]pyridine,5-bromo-2,3-dihydro-1-(phenylsulfonyl)-
Basic information
- Standard SMILES
O=S(=O)(c1ccccc1)N1CCc2cc(Br)cnc21- InChIKey
BUIKBADLYLQLSB-UHFFFAOYSA-N- Molecular formula
- C13H11BrN2O2S
- Average molar mass
- 339.21 g/mol
- Monoisotopic mass
- 337.97246
Names & identifiers
- Preferred name
- 1h-Pyrrolo[2,3-b]pyridine,5-bromo-2,3-dihydro-1-(phenylsulfonyl)-
- IUPAC
- 1-(benzenesulfonyl)-5-bromo-2,3-dihydropyrrolo[2,3-b]pyridine
Names & synonyms
1h-pyrrolo[2,3-b]pyridine,5-bromo-2,3-dihydro-1-(phenylsulfonyl)-754214-40-9SCHEMBL3352898BUIKBADLYLQLSB-UHFFFAOYSA-N1-Benzenesulfonyl-5-bromo-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine
Database identifiers
- PubChem CID
- 68609502
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 58.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 417
Related reactions
2 records
Compound notes
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