Basic information
- Standard SMILES
Cn1c(C(F)(F)F)cc(=O)n(-c2cc(S([NH-])(=O)=O)c(Cl)cc2F)c1=O- InChIKey
ZHBZBSHATNIHKD-UHFFFAOYSA-N- Molecular formula
- C12H7ClF4N3O4S-
- Average molar mass
- 400.71 g/mol
Names & identifiers
- Preferred name
- 2-chloro-4-fluoro-5-[3,6-dihydro-3-methyl-2,6-dioxo-4-trifluoromethyl-(2H)-pyrimidin-1-yl]-benzenesulfonylamide
- IUPAC
- [2-chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]phenyl]sulfonylazanide
Names & synonyms
2-chloro-4-fluoro-5-[3,6-dihydro-3-methyl-2,6-dioxo-4-trifluoromethyl-(2H)-pyrimidin-1-yl]-benzenesulfonylamide
Database identifiers
- PubChem CID
- 86607756
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 84.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- -1
- Complexity
- 721
Related reactions
2 records
Compound notes
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