4-Chloro-1-oxidopyridin-1-ium-3-sulfonamide
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Basic information
- CAS
58155-57-0- Standard SMILES
NS(=O)(=O)c1c[n+]([O-])ccc1Cl- InChIKey
UDNSWGQQLCNSSK-UHFFFAOYSA-N- Molecular formula
- C5H5ClN2O3S
- Average molar mass
- 208.62 g/mol
- Monoisotopic mass
- 207.9709409
Names & identifiers
- Preferred name
- 4-Chloro-1-oxidopyridin-1-ium-3-sulfonamide
- IUPAC
- 4-chloro-1-oxidopyridin-1-ium-3-sulfonamide
- English name
- 4-chloro-1-oxidopyridin-1-ium-3-sulfonamide
- Molecular formula
- C5H5ClN2O3S
- Molecular weight
- 208.62
Names & synonyms
58155-57-04-Chloro-3-sulfamoylpyridine 1-oxide4-Chloro-1-oxo-1lambda~5~-pyridine-3-sulfonamide4-chloro-1-oxidopyridin-1-ium-3-sulfonamideNSC325677DTXSID20318078NSC-3256774-chloro-1-oxido-pyridine-3-sulfonamideDS-005302Bedaquiline Impurity 713-Pyridinesulfonamide, 4-chloro-, 1-oxide4- chloro -1- pyridine-1 - donium -3- sulfonamide
Database identifiers
- CAS
58155-57-0- PubChem CID
- 331652
- DTXSID
DTXSID20318078
Properties
Computed structural propertiesFilling in
- XLogP
- -0.9
- Topological polar surface area
- 94 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 250
Physicochemical properties
- Melting point
- 217 · 217-219 °C
- Boiling point
- 545.3 · 545.3±60.0 °C(Predicted)
- Density
- 1.75 · 1.75±0.1 g/cm3(Predicted)
- pka
- 9.24 · 9.24±0.60(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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