Basic information
- Standard SMILES
NS(=O)(=O)c1ccc(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(Br)c1- InChIKey
HWLCWXCXOCXVFN-UHFFFAOYSA-N- Molecular formula
- C10H6BrF9N2O4S2
- Average molar mass
- 533.2 g/mol
- Monoisotopic mass
- 531.88087
Names & identifiers
- Preferred name
- 3-Bromo-4-(nonafluorobutane-1-sulfonylamino)-benzenesulfonamide
- IUPAC
- 3-bromo-4-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylamino)benzenesulfonamide
Names & synonyms
CHEMBL3441813-Bromo-4-(nonafluorobutane-1-sulfonylamino)-benzenesulfonamideDTXSID901348492BDBM50094453
Database identifiers
- PubChem CID
- 10697562
- DTXSID
DTXSID901348492- ChEMBL
CHEMBL344181
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 123 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 789
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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