Basic information
- Standard SMILES
NS(=O)(=O)c1ccc(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1- InChIKey
ZBJQDRBIVLWHSI-UHFFFAOYSA-N- Molecular formula
- C14H7F17N2O4S2
- Average molar mass
- 654.3 g/mol
- Monoisotopic mass
- 653.9575778
Names & identifiers
- Preferred name
- 4-(Heptadecafluorooctane-1-sulfonylamino)-benzenesulfonamide
- IUPAC
- 4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonylamino)benzenesulfonamide
Names & synonyms
CHEMBL3440304-(Heptadecafluorooctane-1-sulfonylamino)-benzenesulfonamideDTXSID401348530BDBM50094361
Database identifiers
- PubChem CID
- 11802422
- DTXSID
DTXSID401348530- ChEMBL
CHEMBL344030
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 123 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 23
- Rotatable bonds
- 10
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 1,120
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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