10mM in DMSO for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -80°C Ships Dry ice packs + Cold packs 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.
modulating sirtuin activity; modulating sirtuin activity;
| ALogP | 3.73 |
|---|---|
| Contagem HBD | 1 |
| Ligação rotativa | 4 |
| Pubchem Sid | 528768043 |
|---|---|
| Sorrisos canónicos | C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=NC4=CC=CC=C4S3 |
| IUPAC Name | 3-(azepan-1-ylsulfonyl)-N-(1,3-benzothiazol-2-yl)benzamide |
| InChIKey | VUSOEUOYUTXRTG-UHFFFAOYSA-N |
| INCHI | 1S/C20H21N3O3S2/c24-19(22-20-21-17-10-3-4-11-18(17)27-20)15-8-7-9-16(14-15)28(25,26)23-12-5-1-2-6-13-23/h3-4,7-11,14H,1-2,5-6,12-13H2,(H,21,22,24) |
| SMILES isoméricas | C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=NC4=CC=CC=C4S3 |
| PubChem CID | 1249013 |
| Peso molecular | 415.52904 |
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 |
| Classe | Benzene and substituted derivatives |
| Subclass | Benzenesulfonamides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzenesulfonamides |
| Alternative Parents | Benzamides Benzenesulfonyl compounds Benzothiazoles Benzoyl derivatives Azepanes Organosulfonamides Heteroaromatic compounds Sulfonyls Thiazoles Secondary carboxylic acid amides Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Organopnictogen compounds Organooxygen compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzenesulfonamide - Benzamide - Benzoic acid or derivatives - Benzenesulfonyl group - 1,3-benzothiazole - Benzoyl - Azepane - Organosulfonic acid amide - Azole - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Thiazole - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organopnictogen compound - Organic oxide - Aromatic heteropolycyclic compound |
| Descrição | 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 |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Data | Item |
|---|---|---|---|
 J2415611 | Certificate of Analysis | Jul 22, 2026 | W425536 |
| DMSO (mM) Solubilidade máxima | 10 |
|---|---|
| Peso molecular | 415.500 g/mol |
| XLogP3 | 3.900 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 4 |
| Exact Mass | 415.102 Da |
| Monoisotopic Mass | 415.102 Da |
| Topological Polar Surface Area | 116.000 Ų |
| Heavy Atom Count | 28 |
| 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 |
