N-((2-Chloro-4-(1,1,2,2-tetrafluoroethylsulfonyl)phenyl)carbamoyl)-2,6-difluorobenzamide
Basic information
- CAS
100341-22-8- Standard SMILES
O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(S(=O)(=O)C(F)(F)C(F)F)cc1Cl- InChIKey
IYGOTVJEJALBKT-UHFFFAOYSA-N- Molecular formula
- C16H9ClF6N2O4S
- Average molar mass
- 474.8 g/mol
- Monoisotopic mass
- 473.9875746
Names & identifiers
- Preferred name
- N-((2-Chloro-4-(1,1,2,2-tetrafluoroethylsulfonyl)phenyl)carbamoyl)-2,6-difluorobenzamide
- IUPAC
- N-[[2-chloro-4-(1,1,2,2-tetrafluoroethylsulfonyl)phenyl]carbamoyl]-2,6-difluorobenzamide
Names & synonyms
100341-22-8N-((2-Chloro-4-(1,1,2,2-tetrafluoroethylsulfonyl)phenyl)carbamoyl)-2,6-difluorobenzamideCHEMBL2287843DTXSID40143182N-{[2-Chloro-4-(1,1,2,2-tetrafluoroethanesulfonyl)phenyl]carbamoyl}-2,6-difluorobenzamideBenzamide, N-[[[2-chloro-4-[(1,1,2,2-tetrafluoroethyl)sulfonyl]phenyl]amino]carbonyl]-2,6-difluoro-
Database identifiers
- CAS
100341-22-8- PubChem CID
- 180835
- DTXSID
DTXSID40143182- ChEMBL
CHEMBL2287843- Nikkaji
- J467.988A
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 741
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Related reactions
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Compound notes
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