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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 | CCOC1=C(C=C(C(=C1)C)C(C)C)S(=O)(=O)NC2CC(NC(C2)(C)C)(C)C |
|---|---|
| IUPAC Name | 2-ethoxy-4-methyl-5-propan-2-yl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide |
| InChIKey | LXTIDASGXSROMI-UHFFFAOYSA-N |
| INCHI | 1S/C21H36N2O3S/c1-9-26-18-10-15(4)17(14(2)3)11-19(18)27(24,25)22-16-12-20(5,6)23-21(7,8)13-16/h10-11,14,16,22-23H,9,12-13H2,1-8H3 |
| Molecular Weight | 396.6 |
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 | Toluenes |
| Intermediate Tree Nodes | Tosyl compounds |
| Direct Parent | P-toluenesulfonamides |
| Alternative Parents | Benzenesulfonamides Phenylpropanes Cumenes Benzenesulfonyl compounds Phenoxy compounds Phenol ethers Alkyl aryl ethers Piperidines Organosulfonamides Aminosulfonyl compounds Dialkylamines Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | P-toluenesulfonamide - Benzenesulfonamide - Cumene - Benzenesulfonyl group - Phenylpropane - Phenoxy compound - Phenol ether - Alkyl aryl ether - Piperidine - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organoheterocyclic compound - Secondary amine - Azacycle - Ether - Secondary aliphatic amine - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Amine - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as p-toluenesulfonamides. These are aromatic heterocyclic compounds containing a toluene that is p-substituted with a sulfonamide group. |
| External Descriptors | Not available |
| Molecular Weight | 396.600 g/mol |
|---|---|
| XLogP3 | 4.100 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 6 |
| Exact Mass | 396.245 Da |
| Monoisotopic Mass | 396.245 Da |
| Topological Polar Surface Area | 75.800 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 579.000 |
| 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 |
