Basic information
- Standard SMILES
NS(=O)(=O)c1cc(C(=O)O)cc(NCC=CCBr)c1Oc1ccccc1- InChIKey
HEWYNXYXANFQKH-UHFFFAOYSA-N- Molecular formula
- C17H17BrN2O5S
- Average molar mass
- 441.3 g/mol
Names & identifiers
- Preferred name
- 3-(4-Bromobut-2-enylamino)-4-phenoxy-5-sulfamoylbenzoic acid
- IUPAC
- 3-(4-bromobut-2-enylamino)-4-phenoxy-5-sulfamoylbenzoic acid
Names & synonyms
SCHEMBL11445969
Database identifiers
- PubChem CID
- 53873709
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 586
Related reactions
2 records
Compound notes
Loading…