4-Hydroxy-N-(3-methoxypropyl)-3-nitrobenzenesulphonamide
Basic information
- CAS
79817-62-2- Standard SMILES
COCCCNS(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1- InChIKey
BPBAFZGGKPLCHG-UHFFFAOYSA-N- Molecular formula
- C10H14N2O6S
- Average molar mass
- 290.3 g/mol
- Monoisotopic mass
- 290.05725734
Names & identifiers
- Preferred name
- 4-Hydroxy-N-(3-methoxypropyl)-3-nitrobenzenesulphonamide
- IUPAC
- 4-hydroxy-N-(3-methoxypropyl)-3-nitrobenzenesulfonamide
- English name
- 4-hydroxy-N-(3-methoxypropyl)-3-nitrobenzenesulphonamide
- Molecular formula
- C10H14N2O6S
- Molecular weight
- 290.29296
Names & synonyms
79817-62-2EINECS 279-292-94-Hydroxy-N-(3-methoxypropyl)-3-nitrobenzenesulphonamideBPBAFZGGKPLCHG-UHFFFAOYSA-N4-Hydroxy-N-(3-methoxypropyl)-3-nitrobenzene-1-sulfonamideDTXSID801000770AKOS008940226NS000610954-Hydroxy-N-(3-methoxypropyl)-3-nitrobenzenesulfonamide
Database identifiers
- CAS
79817-62-2- PubChem CID
- 3018879
- DTXSID
DTXSID801000770- EC Number
- 279-292-9
- Nikkaji
- J320.178C
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 130 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 388
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Compound notes
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