Basic information
- CAS
98967-51-2- Standard SMILES
Cc1ccn2nc(S(=O)(=O)Nc3c(F)cccc3Cl)nc2n1- InChIKey
ITRAFQGEVJPMRC-UHFFFAOYSA-N- Molecular formula
- C12H9ClFN5O2S
- Average molar mass
- 341.75 g/mol
- Monoisotopic mass
- 341.0149516
Names & identifiers
- Preferred name
- (1,2,4)Triazolo(1,5-a)pyrimidine-2-sulfonamide, N-(2-chloro-6-fluorophenyl)-7-methyl-
- IUPAC
- N-(2-chloro-6-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
Names & synonyms
(1,2,4)Triazolo(1,5-a)pyrimidine-2-sulfonamide, N-(2-chloro-6-fluorophenyl)-7-methyl-98967-51-2SCHEMBL9832548
Database identifiers
- CAS
98967-51-2- PubChem CID
- 14155263
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 97.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 504
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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