Basic information
- CAS
78503-89-6- Standard SMILES
CC1=NN(C(=O)c2ccncc2)C(=O)C1N=Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1- InChIKey
KBLWUZOOAKHEOO-UHFFFAOYSA-N- Molecular formula
- C20H16N8O4S
- Average molar mass
- 464.5 g/mol
- Monoisotopic mass
- 464.10152219
Names & identifiers
- Preferred name
- 4-((1-isonicotinoyl-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)diazenyl)-N-(pyrimidin-2-yl)-benzenesulfonamide
- IUPAC
- 4-[[3-methyl-5-oxo-1-(pyridine-4-carbonyl)-4H-pyrazol-4-yl]diazenyl]-N-pyrimidin-2-ylbenzenesulfonamide
Names & synonyms
NSC30375978503-89-6DTXSID60316477NSC-3037594-((1-isonicotinoyl-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)diazenyl)-N-(pyrimidin-2-yl)-benzenesulfonamideDS-0147114-[(E)-(1-Isonicotinoyl-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)diazenyl]-N-pyrimidin-2-ylbenzenesulfonamide4-[(E)-[3-methyl-5-oxo-1-(pyridine-4-carbonyl)-4H-pyrazol-4-yl]azo]-N-pyrimidin-2-yl-benzenesulfonamide4-[[3-methyl-5-oxo-1-(pyridine-4-carbonyl)-4H-pyrazol-4-yl]diazenyl]-N-pyrimidin-2-yl-benzenesulfonamide4-{(E)-[3-Methyl-5-oxo-1-(pyridine-4-carbonyl)-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}-N-(pyrimidin-2-yl)benzene-1-sulfonamide
Database identifiers
- CAS
78503-89-6- PubChem CID
- 327693
- DTXSID
DTXSID60316477
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 168 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 6
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 882
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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