4-[[3-methyl-5-oxo-1-(pyridine-4-carbonyl)-4H-pyrazol-4-yl]diazenyl]-N-pyridin-2-ylbenzenesulfonamide
Basic information
- CAS
78503-87-4- Standard SMILES
CC1=NN(C(=O)c2ccncc2)C(=O)C1N=Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1- InChIKey
QTEULSNJILANLC-UHFFFAOYSA-N- Molecular formula
- C21H17N7O4S
- Average molar mass
- 463.5 g/mol
- Monoisotopic mass
- 463.10627322
Names & identifiers
- Preferred name
- 4-[[3-methyl-5-oxo-1-(pyridine-4-carbonyl)-4H-pyrazol-4-yl]diazenyl]-N-pyridin-2-ylbenzenesulfonamide
- IUPAC
- 4-[[3-methyl-5-oxo-1-(pyridine-4-carbonyl)-4H-pyrazol-4-yl]diazenyl]-N-pyridin-2-ylbenzenesulfonamide
Names & synonyms
NSC30375678503-87-44-[[3-methyl-5-oxo-1-(pyridine-4-carbonyl)-4H-pyrazol-4-yl]diazenyl]-N-pyridin-2-ylbenzenesulfonamideDTXSID40316475NSC-303756DS-0102714-[(E)-(1-Isonicotinoyl-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)diazenyl]-N-pyridin-2-ylbenzenesulfonamide4-[(E)-[3-methyl-5-oxo-1-(pyridine-4-carbonyl)-4H-pyrazol-4-yl]azo]-N-(2-pyridyl)benzenesulfonamide4-{(E)-[3-Methyl-5-oxo-1-(pyridine-4-carbonyl)-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}-N-(pyridin-2-yl)benzene-1-sulfonamideBENZENESULFONAMIDE,4-[2-[4,5-DIHYDRO-3-METHYL-5-OXO-1-(4-PYRIDINYLCARBONYL)-1H-PYRAZOL-4-YL]DIAZENYL]-N-2-PYRIDINYL-
Database identifiers
- CAS
78503-87-4- PubChem CID
- 327690
- DTXSID
DTXSID40316475
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 155 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 6
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 887
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Compound notes
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