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.
α7β1 integrin modulatory agent;
| ALogP | 1.202 |
|---|---|
| Legame rotabile | 6 |
| Sorrisi canonici | CCCN(C1CCS(=O)(=O)C1)C(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3 |
|---|---|
| IUPAC Name | N-(1,1-dioxothiolan-3-yl)-N-propyl-4-pyrrolidin-1-ylsulfonylbenzamide |
| InChIKey | PNPGRICDOGELQM-UHFFFAOYSA-N |
| INCHI | 1S/C18H26N2O5S2/c1-2-10-20(16-9-13-26(22,23)14-16)18(21)15-5-7-17(8-6-15)27(24,25)19-11-3-4-12-19/h5-8,16H,2-4,9-14H2,1H3 |
| Isomeri SMILES | CCCN(C1CCS(=O)(=O)C1)C(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3 |
| PubChem CID | 4838573 |
| Peso molecolare | 414.54 |
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 | Benzenesulfonyl compounds Benzamides Benzoyl derivatives Organosulfonamides Thiolanes Tertiary carboxylic acid amides Sulfones Pyrrolidines Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Benzenesulfonamide - Benzamide - Benzoic acid or derivatives - Benzenesulfonyl group - Benzoyl - Organosulfonic acid amide - Pyrrolidine - Thiolane - Tertiary carboxylic acid amide - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Sulfone - Carboxamide group - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Aromatic heteromonocyclic compound |
| Descrizione | 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 |
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| DMSO (mM) Solubilità massima | 10 |
|---|---|
| Peso molecolare | 414.500 g/mol |
| XLogP3 | 1.500 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 6 |
| Exact Mass | 414.128 Da |
| Monoisotopic Mass | 414.128 Da |
| Topological Polar Surface Area | 109.000 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 725.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
