≥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 | CN(C1=CC=C(C=C1)OCC(=O)NC2=CC=CC=C2C(=O)O)S(=O)(=O)C3=CC=C(C=C3)Cl |
|---|---|
| IUPAC Name | 2-[[2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]acetyl]amino]benzoic acid |
| InChIKey | IGZKYNTVSVRGIE-UHFFFAOYSA-N |
| INCHI | 1S/C22H19ClN2O6S/c1-25(32(29,30)18-12-6-15(23)7-13-18)16-8-10-17(11-9-16)31-14-21(26)24-20-5-3-2-4-19(20)22(27)28/h2-13H,14H2,1H3,(H,24,26)(H,27,28) |
| Molecular Weight | 474.9 |
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 | Benzoic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Acylaminobenzoic acid and derivatives |
| Alternative Parents | Sulfanilides Benzenesulfonamides Benzenesulfonyl compounds Benzoic acids Anilides Benzoyl derivatives Phenoxy compounds N-arylamides Phenol ethers Chlorobenzenes Alkyl aryl ethers Aryl chlorides Organosulfonamides Vinylogous amides Aminosulfonyl compounds Secondary carboxylic acid amides Monocarboxylic acids and derivatives Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organopnictogen compounds |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Acylaminobenzoic acid or derivatives - Benzenesulfonamide - Sulfanilide - Benzenesulfonyl group - Benzoic acid - Anilide - Phenoxy compound - N-arylamide - Benzoyl - Phenol ether - Alkyl aryl ether - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - Organosulfonic acid amide - Vinylogous amide - Aminosulfonyl compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Carbonyl group - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organochloride - Organopnictogen compound - Organohalogen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as acylaminobenzoic acid and derivatives. These are derivatives of amino benzoic acid derivatives where the amine group is N-acylated. |
| External Descriptors | Not available |
| Molecular Weight | 474.900 g/mol |
|---|---|
| XLogP3 | 4.200 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 8 |
| Exact Mass | 474.065 Da |
| Monoisotopic Mass | 474.065 Da |
| Topological Polar Surface Area | 121.000 Ų |
| Heavy Atom Count | 32 |
| Formal Charge | 0 |
| Complexity | 742.000 |
| 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-{2-[4-(N-methyl4-chlorobenzenesulfonamido)phenoxy]acetamido}benzoic acid - ≥95% , CAS No.748145-28-0](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)