Basic information
- Standard SMILES
O=S(=O)(O)c1ccc(Nc2ccnc3cc(Br)ccc23)cc1- InChIKey
SJBFVLOXQROPEL-UHFFFAOYSA-N- Molecular formula
- C15H11BrN2O3S
- Average molar mass
- 379.2 g/mol
Names & identifiers
- Preferred name
- 4-(7-Bromo-4-quinolylamino)benzenesulphonic acid
- IUPAC
- 4-[(7-bromoquinolin-4-yl)amino]benzenesulfonic acid
Names & synonyms
SCHEMBL11817669SJBFVLOXQROPEL-UHFFFAOYSA-N4-(7-bromo-4-quinolylamino)-benzenesulphonic acid4-(7-Bromo-4-quinolylamino)benzenesulphonic acid
Database identifiers
- PubChem CID
- 21563547
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 87.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 474
Related reactions
4 records
Compound notes
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