Basic information
- CAS
57241-09-5- Standard SMILES
O=S(=O)(Nc1cn[nH]n1)c1ccccc1- InChIKey
RDXCHRMJDSFWSZ-UHFFFAOYSA-N- Molecular formula
- C8H8N4O2S
- Average molar mass
- 224.24 g/mol
- Monoisotopic mass
- 224.03679668
Names & identifiers
- Preferred name
- N-(2H-triazol-4-yl)benzenesulfonamide
- IUPAC
- N-(2H-triazol-4-yl)benzenesulfonamide
- English name
- Benzenesulfonamide, N-1H-1,2,3-triazol-4-yl- (9CI)
- Molecular formula
- C8H8N4O2S
- Molecular weight
- 224.24
Names & synonyms
57241-09-5N-(2H-triazol-4-yl)benzenesulfonamideDTXSID30314526RefChem:361046DTXCID70265649N-(1H-1,2,3-Triazol-5-yl)benzenesulfonamideNSC284711SCHEMBL9959892SCHEMBL152586381,2,3-triazolyl benzene sulfonamideNSC-284711N-(2H-1,2,3-Triazol-4-yl)benzenesulfonamide
Show more names
Benzenesulfonamide, N-1H-1,2,3-triazol-5-yl-Benzenesulfonamide, N-1H-1,2,3-triazol-4-yl- (9CI)
Z1509566650
Database identifiers
- CAS
57241-09-5- PubChem CID
- 323583
- DTXSID
DTXSID30314526
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 96.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 294
Physicochemical properties
- Boiling point
- 471.4 · 471.4±37.0 °C(Predicted)
- Density
- 1.564 · 1.564±0.06 g/cm3(Predicted)
- pka
- 6.63 · 6.63±0.50(Predicted)
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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