≥98%(HPLC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CC1=CC(=C(C=C1NC(=O)C2=CC(=CC(=C2)C#N)S(F)(F)(F)(F)F)N3C=CN4C3=CC(=N4)C5=CN=CC=C5)C |
|---|---|
| IUPAC Name | 3-cyano-N-[2,4-dimethyl-5-(6-pyridin-3-ylimidazo[1,2-b]pyrazol-1-yl)phenyl]-5-(pentafluoro-λ6-sulfanyl)benzamide |
| InChIKey | MPASHPJAIUOWCK-UHFFFAOYSA-N |
| INCHI | 1S/C26H19F5N6OS/c1-16-8-17(2)24(36-6-7-37-25(36)13-23(35-37)19-4-3-5-33-15-19)12-22(16)34-26(38)20-9-18(14-32)10-21(11-20)39(27,28,29,30)31/h3-13,15H,1-2H3,(H,34,38) |
| Isomeric SMILES | CC1=CC(=C(C=C1NC(=O)C2=CC(=CC(=C2)C#N)S(F)(F)(F)(F)F)N3C=CN4C3=CC(=N4)C5=CN=CC=C5)C |
| Molecular Weight | 558.53 |
| Reaxy-Rn | 23742241 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=23742241&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Anilides |
| Intermediate Tree Nodes | Aromatic anilides |
| Direct Parent | Benzanilides |
| Alternative Parents | Pyrazolylpyridines Phenylimidazoles M-sulfanylbenzoic acids and derivatives Benzamides m-Xylenes Benzonitriles Benzoyl derivatives N-substituted imidazoles Pyrazoles Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Nitriles Organooxygen compounds Hydrocarbon derivatives Organosulfur compounds Organic oxides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzanilide - 1-phenylimidazole - 3-pyrazolylpyridine - M-sulfanylbenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - Benzonitrile - Benzoyl - M-xylene - Xylene - N-substituted imidazole - Pyridine - Azole - Imidazole - Heteroaromatic compound - Pyrazole - Carboxamide group - Secondary carboxylic acid amide - Nitrile - Carbonitrile - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Cyanide - Organic oxygen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzanilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with a benzene ring. They have the general structure RNC(=O)R', where R,R'= benzene. |
| External Descriptors | Not available |
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| Solubility | Solvent:DMSO, Max Conc. mg/mL: None, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: None, Max Conc. mM: 100 |
|---|---|
| Molecular Weight | 558.500 g/mol |
| XLogP3 | 6.900 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 4 |
| Exact Mass | 558.126 Da |
| Monoisotopic Mass | 558.126 Da |
| Topological Polar Surface Area | 89.000 Ų |
| Heavy Atom Count | 39 |
| Formal Charge | 0 |
| Complexity | 991.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
