2-[4-[[3-methyl-5-oxo-1-(pyridine-4-carbonyl)-4H-pyrazol-4-yl]diazenyl]phenyl]sulfonylguanidine
Basic information
- CAS
78503-90-9- Standard SMILES
CC1=NN(C(=O)c2ccncc2)C(=O)C1N=Nc1ccc(S(=O)(=O)N=C(N)N)cc1- InChIKey
SZRSJRNHDLQWGT-UHFFFAOYSA-N- Molecular formula
- C17H16N8O4S
- Average molar mass
- 428.4 g/mol
- Monoisotopic mass
- 428.10152219
Names & identifiers
- Preferred name
- 2-[4-[[3-methyl-5-oxo-1-(pyridine-4-carbonyl)-4H-pyrazol-4-yl]diazenyl]phenyl]sulfonylguanidine
- IUPAC
- 2-[4-[[3-methyl-5-oxo-1-(pyridine-4-carbonyl)-4H-pyrazol-4-yl]diazenyl]phenyl]sulfonylguanidine
Names & synonyms
NSC30375878503-90-92-[4-[[3-methyl-5-oxo-1-(pyridine-4-carbonyl)-4H-pyrazol-4-yl]diazenyl]phenyl]sulfonylguanidineDTXSID00316476NSC-303758DS-0038641-[4-[(E)-[3-methyl-5-oxo-1-(pyridine-4-carbonyl)-4H-pyrazol-4-yl]azo]phenyl]sulfonylguanidineN-(Diaminomethylidene)-4-{(E)-[3-methyl-5-oxo-1-(pyridine-4-carbonyl)-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}benzene-1-sulfonamideN-[Amino(imino)methyl]-4-[(E)-(1-isonicotinoyl-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)diazenyl]benzenesulfonamide
Database identifiers
- CAS
78503-90-9- PubChem CID
- 327692
- DTXSID
DTXSID00316476
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 194 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 861
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Related reactions
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Compound notes
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