Basic information
- CAS
57946-16-4- Standard SMILES
N#Cc1cccc(NS(=O)(=O)C(F)(F)F)c1- InChIKey
GAWNAOZVTUPTGS-UHFFFAOYSA-N- Molecular formula
- C8H5F3N2O2S
- Average molar mass
- 250.2 g/mol
Names & identifiers
- Preferred name
- N-(3-Cyanophenyl)-1,1,1-trifluoromethanesulfonamide
- IUPAC
- N-(3-cyanophenyl)-1,1,1-trifluoromethanesulfonamide
- English name
- Methanesulfonamide, N-(3-cyanophenyl)-1,1,1-trifluoro-
- Molecular formula
- C8H5F3N2O2S
- Molecular weight
- 250.2
Names & synonyms
57946-16-4N-(3-Cyanophenyl)-1,1,1-trifluoromethanesulfonamideMethanesulfonamide, N-(3-cyanophenyl)-1,1,1-trifluoro-
Database identifiers
- CAS
57946-16-4
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 78.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 390
Physicochemical properties
- Boiling point
- 291.1 · 291.1±50.0 °C(Predicted)
- Density
- 1.56 · 1.56±0.1 g/cm3(Predicted)
- pka
- 3.57 · 3.57±0.40(Predicted)
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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