4-hydroxy-N-methyl-3-nitrobenzenesulphonamide
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Basic information
- CAS
96-58-2- Standard SMILES
CNS(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1- InChIKey
ORCOFVZAETWNGU-UHFFFAOYSA-N- Molecular formula
- C7H8N2O5S
- Average molar mass
- 232.22 g/mol
- Monoisotopic mass
- 232.01539253
Names & identifiers
- Preferred name
- 4-hydroxy-N-methyl-3-nitrobenzenesulphonamide
- IUPAC
- 4-hydroxy-N-methyl-3-nitrobenzenesulfonamide
- English name
- 2-NITROPHENOL-4-SULFOMETHYL AMIDE
- Molecular formula
- C7H8N2O5S
- Molecular weight
- 232.21
Names & synonyms
96-58-24-Hydroxy-N-methyl-3-nitrobenzenesulphonamideEINECS 202-517-9DTXSID40242068RefChem:99262DTXCID40164559202-517-94-hydroxy-n-methyl-3-nitrobenzenesulfonamide4-hydroxy-N-methyl-3-nitrobenzene-1-sulfonamideSCHEMBL2284748AKOS008940472NS00040492
Show more names
2-NITROPHENOL-4-SULFOMETHYL AMIDEN-Methyl-3-nitro-4-phenolsulfonamideBenzenesulfonamide, 4-hydroxy-N-methyl-3-nitro-
Database identifiers
- CAS
96-58-2- PubChem CID
- 66779
- DTXSID
DTXSID40242068- EC Number
- 202-517-9
- Nikkaji
- J30.805F
Properties
Computed structural propertiesFilling in
- XLogP
- 0.8
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 330
Physicochemical properties
- Melting point
- 130 · 130-131 °C
- Boiling point
- 382.4 · 382.4±52.0 °C(Predicted)
- Density
- 1.544 · 1.544±0.06 g/cm3(Predicted)
- pka
- 5.04 · 5.04±0.14(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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