3-[4,5-Dihydro-4-[2-(2-methoxy-4-nitrophenyl)diazenyl]-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulfonamide
Basic information
- CAS
93940-52-4- Standard SMILES
COc1cc([N+](=O)[O-])ccc1N=NC1C(=O)N(c2cccc(S(N)(=O)=O)c2)N=C1C- InChIKey
QLPVKUZJTMZPJA-UHFFFAOYSA-N- Molecular formula
- C17H16N6O6S
- Average molar mass
- 432.4 g/mol
- Monoisotopic mass
- 432.08520342
Names & identifiers
- Preferred name
- 3-[4,5-Dihydro-4-[2-(2-methoxy-4-nitrophenyl)diazenyl]-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulfonamide
- IUPAC
- 3-[4-[(2-methoxy-4-nitrophenyl)diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonamide
- English name
- 3-[4,5-dihydro-4-[(2-methoxy-4-nitrophenyl)azo]-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulphonamide
- Molecular formula
- C17H16N6O6S
- Molecular weight
- 432.41
Names & synonyms
93940-52-43-[4,5-Dihydro-4-[2-(2-methoxy-4-nitrophenyl)diazenyl]-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulfonamide3-(4,5-Dihydro-4-(2-(2-methoxy-4-nitrophenyl)diazenyl)-3-methyl-5-oxo-1H-pyrazol-1-yl)benzenesulfonamideRefChem:274290EINECS 300-449-53-(4,5-Dihydro-4-((2-methoxy-4-nitrophenyl)azo)-3-methyl-5-oxo-1H-pyrazol-1-yl)benzenesulphonamideQLPVKUZJTMZPJA-UHFFFAOYSA-NDTXSID101111289NS000642953-[4,5-dihydro-4-[(2-methoxy-4-nitrophenyl)azo]-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulphonamide3-[[4,5-Dihydro-4-[(2-methoxy-4-nitrophenyl)azo]-3-methyl-5-oxo-1H-pyrazol]-1-yl]benzenesulfonamideBenzenesulfonamide, 3-[4,5-dihydro-4-[2-(2-methoxy-4-nitrophenyl)diazenyl]-3-methyl-5-oxo-1H-pyrazol-1-yl]-
Database identifiers
- CAS
93940-52-4- PubChem CID
- 3022980
- DTXSID
DTXSID101111289- EC Number
- 300-449-5
- Nikkaji
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 181 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 835
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationChemical: Benzenesulfonamide, 3-[4,5-dihydro-4-[(2-methoxy-4-nitrophenyl]azo]-3-methyl-5-oxo-1H-pyrazol-1-yl]-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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