Basic information
- CAS
4922-53-6- Standard SMILES
NS(=O)(=O)c1ccc(-c2ncn[nH]2)cc1- InChIKey
FQAHYLJIQSNCSE-UHFFFAOYSA-N- Molecular formula
- C8H8N4O2S
- Average molar mass
- 224.24 g/mol
- Monoisotopic mass
- 224.03679668
Names & identifiers
- Preferred name
- 1H-1,2,4-Triazole, 5-(p-sulfamoylphenyl)-
- IUPAC
- 4-(1H-1,2,4-triazol-5-yl)benzenesulfonamide
- English name
- 4-(1H-1,2,4-Triazol-3-yl)benzenesulfonamide
- Molecular formula
- C8H8N4O2S
- Molecular weight
- 224.24
Names & synonyms
1H-1,2,4-Triazole, 5-(p-sulfamoylphenyl)-BRN 15788114922-53-65-(p-Sulfamoylphenyl)-1H-1,2,4-triazoleBenzenesulfonamide, p-(1H-1,2,4-triazol-5-yl)-DTXSID40197726RefChem:237047DTXCID00120217SCHEMBL8633144SCHEMBL111154384-(1H-1,2,4-Triazol-5-yl)benzene-1-sulfonamidep-(1H-1,2,4-Triazol-3-yl)benzenesulfonamide
Show more names
4-(1H-1,2,4-Triazol-3-yl)benzenesulfonamideBenzenesulfonamide, 4-(1H-1,2,4-triazol-5-yl)-
Database identifiers
- CAS
4922-53-6- PubChem CID
- 199762
- DTXSID
DTXSID40197726- Nikkaji
- J49.175F
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 305
Physicochemical properties
- Boiling point
- 518.5 · 518.5±60.0 °C(Predicted)
- Density
- 1.51 · 1.510±0.06 g/cm3(Predicted)
- pka
- 8.95 · 8.95±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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