Basic information
- CAS
879151-19-6- Standard SMILES
O=S(=O)(NCc1nnc2ccccn12)c1ccc(F)cc1- InChIKey
ZMYVRFQMTWWQBK-UHFFFAOYSA-N- Molecular formula
- C13H11FN4O2S
- Average molar mass
- 306.32 g/mol
- Monoisotopic mass
- 306.05867494
Names & identifiers
- Preferred name
- 4-fluoro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzenesulfonamide
- IUPAC
- 4-fluoro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzenesulfonamide
Names & synonyms
4-fluoro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzenesulfonamide879151-19-6MLS002157667CHEMBL1714972DTXSID401327097HMS3034A24STK637440AKOS005568858SMR001240155AB00750189-01Z65600186N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-4-fluorobenzenesulfonamide
Show more names
4-Fluoro-N-[([1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]benzene-1-sulfonamide
Database identifiers
- CAS
879151-19-6- PubChem CID
- 9508065
- DTXSID
DTXSID401327097- ChEMBL
CHEMBL1714972
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 84.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 448
Experimental & physicochemical properties
Solubility42.8 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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