Basic information
- Standard SMILES
CN(c1ncccc1CNc1ncc(C(F)(F)F)c(Cl)n1)S(C)(=O)=O- InChIKey
VHRXJQMVMXCNPO-UHFFFAOYSA-N- Molecular formula
- C13H13ClF3N5O2S
- Average molar mass
- 395.79 g/mol
- Monoisotopic mass
- 395.043058
Names & identifiers
- Preferred name
- N-[3-({[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]amino}methyl)pyridin-2-yl]-N-methylmethanesulfonamide
- IUPAC
- N-[3-[[[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]-2-pyridinyl]-N-methylmethanesulfonamide
Names & synonyms
N-[3-({[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]amino}methyl)pyridin-2-yl]-N-methylmethanesulfonamideSCHEMBL2033526
Database identifiers
- PubChem CID
- 86653992
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 96.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 545
Related reactions
2 records
Compound notes
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