Basic information
- Standard SMILES
CCN1CCCC(NS(=O)(=O)c2ccc(Nc3ccnc4cc(Br)ccc34)cc2)C1- InChIKey
IBRWZHYEKNEVBT-UHFFFAOYSA-N- Molecular formula
- C22H25BrN4O2S
- Average molar mass
- 489.4 g/mol
- Monoisotopic mass
- 488.08816
Names & identifiers
- Preferred name
- 4-(7-Bromo-4-quinolylamino)-N-(1-ethyl-3-piperidyl)-benzenesulphonamide
- IUPAC
- 4-[(7-bromoquinolin-4-yl)amino]-N-(1-ethylpiperidin-3-yl)benzenesulfonamide
Names & synonyms
SCHEMBL11816851IBRWZHYEKNEVBT-UHFFFAOYSA-N4-(7-Bromo-4-quinolylamino)-N-(1-ethyl-3-piperidyl)-benzenesulphonamide
Database identifiers
- PubChem CID
- 21563534
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 82.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 650
Related reactions
2 records
Compound notes
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