≥90% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal 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=C(C(=O)NC(=C1Cl)C)S(=O)(=O)C2=CC=CC=C2 |
|---|---|
| IUPAC Name | 3-(benzenesulfonyl)-5-chloro-4,6-dimethyl-1H-pyridin-2-one |
| InChIKey | WKVQPYVXBZLCHT-UHFFFAOYSA-N |
| INCHI | 1S/C13H12ClNO3S/c1-8-11(14)9(2)15-13(16)12(8)19(17,18)10-6-4-3-5-7-10/h3-7H,1-2H3,(H,15,16) |
| Isomeric SMILES | CC1=C(C(=O)NC(=C1Cl)C)S(=O)(=O)C2=CC=CC=C2 |
| PubChem CID | 3249236 |
| Molecular Weight | 297.76 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Benzenesulfonyl compounds |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzenesulfonyl compounds |
| Alternative Parents | Pyridinones Methylpyridines Dihydropyridines Aryl chlorides Sulfones Heteroaromatic compounds Lactams Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Benzenesulfonyl group - Dihydropyridine - Methylpyridine - Pyridinone - Aryl chloride - Aryl halide - Hydropyridine - Pyridine - Heteroaromatic compound - Sulfonyl - Sulfone - Lactam - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzenesulfonyl compounds. These are aromatic compounds containing a benzenesulfonyl group, which consists of a monocyclic benzene moiety that carries a sulfonyl group. |
| External Descriptors | Not available |
| Molecular Weight | 297.760 g/mol |
|---|---|
| XLogP3 | 1.800 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 297.023 Da |
| Monoisotopic Mass | 297.023 Da |
| Topological Polar Surface Area | 71.600 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 563.000 |
| 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 |
