≥98% 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.
PME-1 (Cell-free assay) 0.60 μM
| Sonrisas canónicas | C1=CC(=CC(=C1)S(=O)(=O)N2C=CC=C2C=C(C#N)S(=O)(=O)C3=CC=C(C=C3)F)[N+](=O)[O-] |
|---|---|
| IUPAC Name | (E)-2-(4-fluorophenyl)sulfonyl-3-[1-(3-nitrophenyl)sulfonylpyrrol-2-yl]prop-2-enenitrile |
| InChIKey | GUCUORSUHTZMBW-YBFXNURJSA-N |
| INCHI | 1S/C19H12FN3O6S2/c20-14-6-8-17(9-7-14)30(26,27)19(13-21)11-15-4-2-10-22(15)31(28,29)18-5-1-3-16(12-18)23(24)25/h1-12H/b19-11+ |
| Isómeros SMILES | C1=CC(=CC(=C1)S(=O)(=O)N2C=CC=C2/C=C(\C#N)/S(=O)(=O)C3=CC=C(C=C3)F)[N+](=O)[O-] |
| PubChem CID | 44607965 |
| Peso molecular | 461.44 |
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 |
| Clase | Benzene and substituted derivatives |
| Subclass | Benzenesulfonamides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzenesulfonamides |
| Alternative Parents | Benzenesulfonyl compounds Nitrobenzenes Nitroaromatic compounds Fluorobenzenes Substituted pyrroles Aryl fluorides Sulfones Organosulfonic acids and derivatives Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Nitriles Organofluorides Hydrocarbon derivatives Organic oxides Organic salts Organic cations |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Benzenesulfonamide - Benzenesulfonyl group - Nitrobenzene - Nitroaromatic compound - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Sulfone - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Organic nitro compound - C-nitro compound - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carbonitrile - Nitrile - Organic oxoazanium - Azacycle - Organic salt - Organohalogen compound - Hydrocarbon derivative - Organofluoride - Organonitrogen compound - Organosulfur compound - Organic nitrogen compound - Organic oxygen compound - Cyanide - Organic oxide - Organic cation - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring. |
| External Descriptors | Not available |
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Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Fecha | Articulo |
|---|---|---|---|
 B2418479 | Certificate of Analysis | Jan 09, 2024 | A412314 |
| B2419662 | Certificate of Analysis | Jan 09, 2024 | A412314 |
| B2419663 | Certificate of Analysis | Jan 09, 2024 | A412314 |
| B2419664 | Certificate of Analysis | Jan 09, 2024 | A412314 |
| B2419666 | Certificate of Analysis | Jan 09, 2024 | A412314 |
| B2419760 | Certificate of Analysis | Jan 09, 2024 | A412314 |
| B2419762 | Certificate of Analysis | Jan 09, 2024 | A412314 |
| B2419763 | Certificate of Analysis | Jan 09, 2024 | A412314 |
| B2419764 | Certificate of Analysis | Jan 09, 2024 | A412314 |
| B2419765 | Certificate of Analysis | Jan 09, 2024 | A412314 |
| B2419766 | Certificate of Analysis | Jan 09, 2024 | A412314 |
| Solubilidad | Solubility (25°C) In vitro DMSO: 92 mg/mL (199.37 mM); Water: Insoluble; Ethanol: Insoluble; |
|---|---|
| Peso molecular | 461.400 g/mol |
| XLogP3 | 3.000 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 5 |
| Exact Mass | 461.015 Da |
| Monoisotopic Mass | 461.015 Da |
| Topological Polar Surface Area | 160.000 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 963.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 1 |
| Covalently-Bonded Unit Count | 1 |
