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.
SERT inhibitor
| ALogP | 3.125 |
|---|---|
| hba_count | 2 |
| Ligação rotativa | 3 |
| Sorrisos canónicos | CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NC3=NC=CS3 |
|---|---|
| IUPAC Name | 1-(4-methylphenyl)sulfonyl-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide |
| InChIKey | BUBDWBMVMWMBJV-UHFFFAOYSA-N |
| INCHI | 1S/C15H17N3O3S2/c1-11-4-6-12(7-5-11)23(20,21)18-9-2-3-13(18)14(19)17-15-16-8-10-22-15/h4-8,10,13H,2-3,9H2,1H3,(H,16,17,19) |
| SMILES isoméricas | CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NC3=NC=CS3 |
| Peso molecular | 302.76 |
| Reaxy-Rn | 39668274 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=39668274&ln= |
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 | Toluenes |
| Intermediate Tree Nodes | Tosyl compounds - P-toluenesulfonamides |
| Direct Parent | N,N-disubstituted p-toluenesulfonamides |
| Alternative Parents | Proline and derivatives Alpha amino acid amides Benzenesulfonamides Benzenesulfonyl compounds Pyrrolidinecarboxamides N-arylamides Organosulfonamides Thiazoles Sulfonyls Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | N,n-disubstituted p-toluenesulfonamide - Proline or derivatives - Alpha-amino acid amide - Alpha-amino acid or derivatives - Benzenesulfonamide - Benzenesulfonyl group - Pyrrolidine-2-carboxamide - N-arylamide - Pyrrolidine carboxylic acid or derivatives - Organosulfonic acid amide - Pyrrolidine - Thiazole - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Heteroaromatic compound - Azole - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organosulfur compound - Aromatic heteromonocyclic compound |
| Descrição | This compound belongs to the class of organic compounds known as n,n-disubstituted p-toluenesulfonamides. These are p-toluenesulfonamide derivatives in which the sulfonamide moiety is N,N-disubstituted. |
| External Descriptors | Not available |
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| DMSO (mM) Solubilidade máxima | 10 |
|---|---|
| Peso molecular | 351.400 g/mol |
| XLogP3 | 2.200 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 4 |
| Exact Mass | 351.071 Da |
| Monoisotopic Mass | 351.071 Da |
| Topological Polar Surface Area | 116.000 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 527.000 |
| 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 |
