≥98% 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.
| Canonical Smiles | CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)S(=O)(=O)N3CCCCCC3 |
|---|---|
| IUPAC Name | N-[4-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]sulfonylphenyl]acetamide |
| InChIKey | XRGXXKICJHFCDA-UHFFFAOYSA-N |
| INCHI | 1S/C18H28N4O5S2/c1-16(23)19-17-6-8-18(9-7-17)28(24,25)20-12-14-22(15-13-20)29(26,27)21-10-4-2-3-5-11-21/h6-9H,2-5,10-15H2,1H3,(H,19,23) |
| Molecular Weight | 444.600 |
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 | Benzenesulfonamides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzenesulfonamides |
| Alternative Parents | Piperazinesulfonamides Acetanilides N-acetylarylamines Benzenesulfonyl compounds Azepanes Sulfuric acid diamides Organosulfonamides Sulfonyls Acetamides Secondary carboxylic acid amides Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Acetanilide - Benzenesulfonamide - Piperazine-1-sulfonamide - N-acetylarylamine - Benzenesulfonyl group - Anilide - N-arylamide - Azepane - 1,4-diazinane - Sulfuric acid diamide - Piperazine - Organosulfonic acid amide - Organic sulfuric acid or derivatives - Acetamide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organopnictogen compound - Carbonyl group - Aromatic heteromonocyclic compound |
| Description | 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 |
| Molecular Weight | 444.600 g/mol |
|---|---|
| XLogP3 | 0.400 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 5 |
| Exact Mass | 444.15 Da |
| Monoisotopic Mass | 444.15 Da |
| Topological Polar Surface Area | 124.000 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 751.000 |
| 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 |
![N-(4-{[4-(1-azepanylsulfonyl)-1-piperazinyl]sulfonyl}phenyl)acetamide - ≥98% , CAS No.825607-91-8](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)