≥95% 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=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=CC=C3C(=O)O |
|---|---|
| IUPAC Name | 2-[4-(4-methylphenyl)sulfonylpiperazine-1-carbonyl]benzoic acid |
| InChIKey | MBZWKEZACXAJIN-UHFFFAOYSA-N |
| INCHI | 1S/C19H20N2O5S/c1-14-6-8-15(9-7-14)27(25,26)21-12-10-20(11-13-21)18(22)16-4-2-3-5-17(16)19(23)24/h2-9H,10-13H2,1H3,(H,23,24) |
| Molecular Weight | 388.4 |
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 - P-toluenesulfonamides |
| Direct Parent | N,N-disubstituted p-toluenesulfonamides |
| Alternative Parents | Benzenesulfonamides Benzamides Benzenesulfonyl compounds Benzoic acids Benzoyl derivatives Piperazines Organosulfonamides Tertiary carboxylic acid amides Sulfonyls Azacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Organonitrogen compounds Organopnictogen compounds Organooxygen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | N,n-disubstituted p-toluenesulfonamide - Benzenesulfonamide - Benzamide - Benzoic acid or derivatives - Benzoic acid - Benzenesulfonyl group - Benzoyl - 1,4-diazinane - Organosulfonic acid amide - Piperazine - Tertiary carboxylic acid amide - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Carboxamide group - Azacycle - Carboxylic acid derivative - Carboxylic acid - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Aromatic heteromonocyclic 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 | 388.400 g/mol |
|---|---|
| XLogP3 | 1.900 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 4 |
| Exact Mass | 388.109 Da |
| Monoisotopic Mass | 388.109 Da |
| Topological Polar Surface Area | 103.000 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 644.000 |
| 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 |
![2-[4-(4-Methylbenzenesulfonyl)piperazine-1-carbonyl]benzoic acid - ≥95% , CAS No.741729-17-9](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)