N-{4-[(4-bromophenyl)sulfonyl]phenyl}-2,6-difluorobenzenecarboxamide
Basic information
- CAS
339104-64-2- Standard SMILES
O=C(Nc1ccc(S(=O)(=O)c2ccc(Br)cc2)cc1)c1c(F)cccc1F- InChIKey
PFNJKXGYTXAPQZ-UHFFFAOYSA-N- Molecular formula
- C19H12BrF2NO3S
- Average molar mass
- 452.3 g/mol
Names & identifiers
- Preferred name
- N-{4-[(4-bromophenyl)sulfonyl]phenyl}-2,6-difluorobenzenecarboxamide
- IUPAC
- N-[4-(4-bromophenyl)sulfonylphenyl]-2,6-difluorobenzamide
- English name
- N-(4-[(4-Bromophenyl)sulfonyl]phenyl)-2,6-difluorobenzenecarboxamide
- Molecular formula
- C19H12BrF2NO3S
- Molecular weight
- 452.27
Names & synonyms
339104-64-2N-{4-[(4-bromophenyl)sulfonyl]phenyl}-2,6-difluorobenzenecarboxamideN-[4-(4-bromophenyl)sulfonylphenyl]-2,6-difluorobenzamideN-[4-(4-bromobenzenesulfonyl)phenyl]-2,6-difluorobenzamideN-(4-((4-bromophenyl)sulfonyl)phenyl)-2,6-difluorobenzamideOprea1_736862AKOS0051049729G-316SN-[4-[(4-Bromophenyl)sulfonyl]phenyl]-2,6-difluorobenzamideBenzamide, N-[4-[(4-bromophenyl)sulfonyl]phenyl]-2,6-difluoro-N-(4-[(4-Bromophenyl)sulfonyl]phenyl)-2,6-difluorobenzenecarboxamide
Database identifiers
- CAS
339104-64-2
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 71.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 601
Physicochemical properties
- Boiling point
- 505.3 · 505.3±50.0 °C(Predicted)
- Density
- 1.607 · 1.607±0.06 g/cm3(Predicted)
- pka
- 10.69 · 10.69±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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