≥90% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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(=O)N1CC2=C(C=C(C=C2)Cl)Cl)S(=O)(=O)C3=CC=CC=C3)C |
|---|---|
| IUPAC Name | 3-(benzenesulfonyl)-1-[(2,4-dichlorophenyl)methyl]-4,6-dimethylpyridin-2-one |
| InChIKey | HDZUSZZQDJTLGH-UHFFFAOYSA-N |
| INCHI | 1S/C20H17Cl2NO3S/c1-13-10-14(2)23(12-15-8-9-16(21)11-18(15)22)20(24)19(13)27(25,26)17-6-4-3-5-7-17/h3-11H,12H2,1-2H3 |
| Isomeric SMILES | CC1=CC(=C(C(=O)N1CC2=C(C=C(C=C2)Cl)Cl)S(=O)(=O)C3=CC=CC=C3)C |
| PubChem CID | 3739574 |
| Molecular Weight | 422.33 |
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 | Benzenesulfonyl compounds |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzenesulfonyl compounds |
| Alternative Parents | Dichlorobenzenes 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 - 1,3-dichlorobenzene - Chlorobenzene - Methylpyridine - Dihydropyridine - Halobenzene - Pyridinone - Aryl chloride - Aryl halide - Pyridine - Hydropyridine - Heteroaromatic compound - Sulfonyl - Sulfone - Lactam - Azacycle - Organoheterocyclic compound - Organohalogen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organochloride - Organonitrogen 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 | 422.300 g/mol |
|---|---|
| XLogP3 | 4.400 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 421.031 Da |
| Monoisotopic Mass | 421.031 Da |
| Topological Polar Surface Area | 62.800 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 748.000 |
| 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 |
