Basic information
- CAS
59541-32-1- Standard SMILES
NC(N)=NS(=O)(=O)c1ccc(N=Nc2c(O)n(-c3ccccc3)n(-c3ccccc3)c2=O)cc1- InChIKey
XGECBNBUTVIXSC-UHFFFAOYSA-N- Molecular formula
- C22H19N7O4S
- Average molar mass
- 477.5 g/mol
- Monoisotopic mass
- 477.12192329
Names & identifiers
- Preferred name
- N-(Diaminomethylidene)-4-[2-(3,5-dioxo-1,2-diphenylpyrazolidin-4-ylidene)hydrazinyl]benzene-1-sulfonamide
- IUPAC
- 2-[4-[(3-hydroxy-5-oxo-1,2-diphenylpyrazol-4-yl)diazenyl]phenyl]sulfonylguanidine
Names & synonyms
NSC27928459541-32-1DTXSID60418485NSC-279284N-(Diaminomethylidene)-4-[2-(3,5-dioxo-1,2-diphenylpyrazolidin-4-ylidene)hydrazinyl]benzene-1-sulfonamide2-[4-[2-(3,5-dioxo-1,2-diphenyl-pyrazolidin-4-ylidene)hydrazino]phenyl]sulfonylguanidineN-(Diaminomethylene)-4-[2-(3,5-dioxo-1,2-diphenylpyrazolidin-4-ylidene)hydrazino]benzenesulfonamideN-(Diaminomethylidene)-4-[2-(3,5-dioxo-1,2-diphenylpyrazolidin-4-ylidene)hydrazin-1-yl]benzene-1-sulfonamide
Database identifiers
- CAS
59541-32-1- PubChem CID
- 322337
- DTXSID
DTXSID60418485
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 175 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 935
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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