≥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.
| Sonrisas canónicas | C1CN(CCN1CCO)S(=O)(=O)C2=CC=C(C=C2)C(=O)O |
|---|---|
| IUPAC Name | 4-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonylbenzoic acid |
| InChIKey | MWIVTBBXKLCFRZ-UHFFFAOYSA-N |
| INCHI | 1S/C13H18N2O5S/c16-10-9-14-5-7-15(8-6-14)21(19,20)12-3-1-11(2-4-12)13(17)18/h1-4,16H,5-10H2,(H,17,18) |
| Isómeros SMILES | C1CN(CCN1CCO)S(=O)(=O)C2=CC=C(C=C2)C(=O)O |
| PubChem CID | 891421 |
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 Benzoic acids Benzoyl derivatives N-alkylpiperazines Organosulfonamides Sulfonyls 1,2-aminoalcohols Trialkylamines Amino acids Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives Primary alcohols Organopnictogen compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Benzenesulfonamide - Benzoic acid or derivatives - Benzoic acid - Benzenesulfonyl group - Benzoyl - N-alkylpiperazine - 1,4-diazinane - Piperazine - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Amino acid - Amino acid or derivatives - 1,2-aminoalcohol - Tertiary aliphatic amine - Tertiary amine - Azacycle - Alkanolamine - Organoheterocyclic compound - Carboxylic acid - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organosulfur compound - Amine - Primary alcohol - Alcohol - 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 | 314.360 g/mol |
|---|---|
| XLogP3 | -2.600 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 5 |
| Exact Mass | 314.094 Da |
| Monoisotopic Mass | 314.094 Da |
| Topological Polar Surface Area | 107.000 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 446.000 |
| 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 |
![4-{[4-(2-Hydroxyethyl)piperazin-1-yl]sulfonyl}benzoic acid - ≥95% , CAS No.620103-21-1](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)