≥95% 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.
| ALogP | 3.4 |
|---|
| Canonical Smiles | CCOC(=O)CCCN(C1=CC=CC=C1C(=O)OC)S(=O)(=O)C2=CC=C(C=C2)C |
|---|---|
| IUPAC Name | methyl 2-[(4-ethoxy-4-oxobutyl)-(4-methylphenyl)sulfonylamino]benzoate |
| InChIKey | MJSQCFDXCIVWRA-UHFFFAOYSA-N |
| INCHI | 1S/C21H25NO6S/c1-4-28-20(23)10-7-15-22(19-9-6-5-8-18(19)21(24)27-3)29(25,26)17-13-11-16(2)12-14-17/h5-6,8-9,11-14H,4,7,10,15H2,1-3H3 |
| Isomeric SMILES | CCOC(=O)CCCN(C1=CC=CC=C1C(=O)OC)S(=O)(=O)C2=CC=C(C=C2)C |
| PubChem CID | 266879 |
| Molecular Weight | 419.5 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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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 - P-toluenesulfonamides |
| Direct Parent | N,N-disubstituted p-toluenesulfonamides |
| Alternative Parents | Sulfanilides Benzenesulfonamides Benzoic acid esters Benzenesulfonyl compounds Benzoyl derivatives Fatty acid esters Organosulfonamides Dicarboxylic acids and derivatives Vinylogous amides Aminosulfonyl compounds Methyl esters Carbonyl compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | N,n-disubstituted p-toluenesulfonamide - Benzenesulfonamide - Benzoate ester - Sulfanilide - Benzoic acid or derivatives - Benzenesulfonyl group - Benzoyl - Fatty acid ester - Dicarboxylic acid or derivatives - Fatty acyl - Organosulfonic acid amide - Vinylogous amide - Methyl ester - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Aminosulfonyl compound - Sulfonyl - Carboxylic acid ester - Carboxylic acid derivative - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organosulfur compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Carbonyl group - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as n,n-disubstituted p-toluenesulfonamides. These are p-toluenesulfonamide derivatives in which the sulfonamide moiety is N,N-disubstituted. |
| External Descriptors | Not available |
| Molecular Weight | 419.500 g/mol |
|---|---|
| XLogP3 | 3.400 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 11 |
| Exact Mass | 419.14 Da |
| Monoisotopic Mass | 419.14 Da |
| Topological Polar Surface Area | 98.400 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 636.000 |
| 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 |
