N-(2,6-Difluorophenyl)-1-phenyl-1H-1,2,4-triazole-3-sulfonamide
Basic information
- CAS
113023-98-6- Standard SMILES
O=S(=O)(Nc1c(F)cccc1F)c1ncn(-c2ccccc2)n1- InChIKey
JUXWIXSXUBCRLX-UHFFFAOYSA-N- Molecular formula
- C14H10F2N4O2S
- Average molar mass
- 336.32 g/mol
- Monoisotopic mass
- 336.04925307
Names & identifiers
- Preferred name
- N-(2,6-Difluorophenyl)-1-phenyl-1H-1,2,4-triazole-3-sulfonamide
- IUPAC
- N-(2,6-difluorophenyl)-1-phenyl-1,2,4-triazole-3-sulfonamide
Names & synonyms
DTXSID101175201N-(2,6-Difluorophenyl)-1-phenyl-1H-1,2,4-triazole-3-sulfonamide113023-98-6
Database identifiers
- CAS
113023-98-6- PubChem CID
- 85542546
- DTXSID
DTXSID101175201
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 85.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 485
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Compound notes
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