≥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.
| Sonrisas canónicas | CC1(CC(=O)C(C(=O)C1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)C |
|---|---|
| IUPAC Name | 2-[1-(benzenesulfonyl)piperidine-4-carbonyl]-5,5-dimethylcyclohexane-1,3-dione |
| InChIKey | AXCMWKYXNMGJLB-UHFFFAOYSA-N |
| INCHI | 1S/C20H25NO5S/c1-20(2)12-16(22)18(17(23)13-20)19(24)14-8-10-21(11-9-14)27(25,26)15-6-4-3-5-7-15/h3-7,14,18H,8-13H2,1-2H3 |
| Isómeros SMILES | CC1(CC(=O)C(C(=O)C1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)C |
| PubChem CID | 3262567 |
| Peso molecular | 391.49 |
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 Beta-diketones Piperidines Organosulfonamides Sulfonyls Cyclic ketones Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Benzenesulfonamide - Benzenesulfonyl group - 1,3-diketone - Piperidine - Organosulfonic acid amide - 1,3-dicarbonyl compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Ketone - Cyclic ketone - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - 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 |
| Peso molecular | 391.500 g/mol |
|---|---|
| XLogP3 | 2.100 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 4 |
| Exact Mass | 391.145 Da |
| Monoisotopic Mass | 391.145 Da |
| Topological Polar Surface Area | 97.000 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 687.000 |
| 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 |
![5,5-Dimethyl-2-{[1-(phenylsulfonyl)-4-piperidinyl]carbonyl}-1,3-cyclohexanedione - ≥90% , CAS No.478041-53-1](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)