≥98% 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.
| Pubchem Sid | 488197212 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488197212 |
| Canonical Smiles | CC1=CC=C(C=C1)S(=O)(=O)N2CC=CC2 |
| IUPAC Name | 1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole |
| InChIKey | UNYMIBRUQCUASP-UHFFFAOYSA-N |
| INCHI | 1S/C11H13NO2S/c1-10-4-6-11(7-5-10)15(13,14)12-8-2-3-9-12/h2-7H,8-9H2,1H3 |
| Isomeric SMILES | CC1=CC=C(C=C1)S(=O)(=O)N2CC=CC2 |
| Molecular Weight | 223.29 |
| Reaxy-Rn | 6923752 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6923752&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 |
| Class | Benzene and substituted derivatives |
| Subclass | Toluenes |
| Intermediate Tree Nodes | Tosyl compounds - P-toluenesulfonamides |
| Direct Parent | N,N-disubstituted p-toluenesulfonamides |
| Alternative Parents | Benzenesulfonamides Benzenesulfonyl compounds Organosulfonamides Sulfonyls Pyrrolines Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | N,n-disubstituted p-toluenesulfonamide - Benzenesulfonamide - Benzenesulfonyl group - Organosulfonic acid amide - Pyrroline - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Organoheterocyclic compound - Azacycle - Organosulfur compound - Organic oxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteromonocyclic compound |
| Description | 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 |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 B2316303 | Certificate of Analysis | Nov 22, 2022 | N159522 |
| B2316308 | Certificate of Analysis | Nov 22, 2022 | N159522 |
| B2316312 | Certificate of Analysis | Nov 22, 2022 | N159522 |
| B2316372 | Certificate of Analysis | Nov 22, 2022 | N159522 |
| B2316615 | Certificate of Analysis | Nov 22, 2022 | N159522 |
| B2316616 | Certificate of Analysis | Nov 22, 2022 | N159522 |
| Melt Point(°C) | 127 °C |
|---|---|
| Molecular Weight | 223.290 g/mol |
| XLogP3 | 1.700 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 223.067 Da |
| Monoisotopic Mass | 223.067 Da |
| Topological Polar Surface Area | 45.800 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 326.000 |
| 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 |
