4-[2-(3,5-Dioxo-1,2-diphenylpyrazolidin-4-ylidene)hydrazinyl]-N-(4-methylpyrimidin-2-yl)benzene-1-sulfonamide
Basic information
- CAS
59541-33-2- Standard SMILES
Cc1ccnc(NS(=O)(=O)c2ccc(N=Nc3c(O)n(-c4ccccc4)n(-c4ccccc4)c3=O)cc2)n1- InChIKey
OOOGFEPKJJSFKV-UHFFFAOYSA-N- Molecular formula
- C26H21N7O4S
- Average molar mass
- 527.6 g/mol
- Monoisotopic mass
- 527.13757335
Names & identifiers
- Preferred name
- 4-[2-(3,5-Dioxo-1,2-diphenylpyrazolidin-4-ylidene)hydrazinyl]-N-(4-methylpyrimidin-2-yl)benzene-1-sulfonamide
- IUPAC
- 4-[(3-hydroxy-5-oxo-1,2-diphenylpyrazol-4-yl)diazenyl]-N-(4-methylpyrimidin-2-yl)benzenesulfonamide
Names & synonyms
NSC27928559541-33-2DTXSID20418486NSC-2792854-[2-(3,5-Dioxo-1,2-diphenylpyrazolidin-4-ylidene)hydrazinyl]-N-(4-methylpyrimidin-2-yl)benzene-1-sulfonamideDS-0147274-[2-(3,5-dioxo-1,2-diphenyl-pyrazolidin-4-ylidene)hydrazino]-N-(4-methylpyrimidin-2-yl)benzenesulfonamide4-[2-(3,5-dioxo-1,2-diphenyl-pyrazolidin-4-ylidene)hydrazinyl]-N-(4-methylpyrimidin-2-yl)benzenesulfonamide4-[2-(3,5-Dioxo-1,2-diphenylpyrazolidin-4-ylidene)hydrazin-1-yl]-N-(4-methylpyrimidin-2-yl)benzene-1-sulfonamide4-[2-(3,5-Dioxo-1,2-diphenylpyrazolidin-4-ylidene)hydrazino]-N-(4-methylpyrimidin-2-yl)benzenesulfonamide
Database identifiers
- CAS
59541-33-2- PubChem CID
- 322338
- DTXSID
DTXSID20418486
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 149 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 7
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 994
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Compound notes
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