≥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 | CCC(=O)C1=CN(C(=C1)C(=O)OC)S(=O)(=O)C2=CC=C(C=C2)C |
|---|---|
| IUPAC Name | methyl 1-(4-methylphenyl)sulfonyl-4-propanoylpyrrole-2-carboxylate |
| InChIKey | SICPTKWSFLGUEH-UHFFFAOYSA-N |
| INCHI | 1S/C16H17NO5S/c1-4-15(18)12-9-14(16(19)22-3)17(10-12)23(20,21)13-7-5-11(2)6-8-13/h5-10H,4H2,1-3H3 |
| Isomeric SMILES | CCC(=O)C1=CN(C(=C1)C(=O)OC)S(=O)(=O)C2=CC=C(C=C2)C |
| PubChem CID | 44479205 |
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 | Benzenesulfonamides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzenesulfonamides |
| Alternative Parents | Tosyl compounds Benzenesulfonyl compounds Pyrrole carboxylic acids and derivatives Aryl alkyl ketones Substituted pyrroles Vinylogous amides Sulfonyls Organosulfonic acids and derivatives Methyl esters Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Benzenesulfonamide - Tosyl compound - Benzenesulfonyl group - Aryl ketone - Aryl alkyl ketone - Pyrrole-2-carboxylic acid or derivatives - Toluene - Substituted pyrrole - Pyrrole - Vinylogous amide - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Methyl ester - Heteroaromatic compound - Sulfonyl - Carboxylic acid ester - Ketone - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - 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 | 335.400 g/mol |
|---|---|
| XLogP3 | 2.600 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 6 |
| Exact Mass | 335.083 Da |
| Monoisotopic Mass | 335.083 Da |
| Topological Polar Surface Area | 90.800 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 545.000 |
| 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 |
![1H-Pyrrole-2-carboxylic acid, 1-[(4-methylphenyl)sulfonyl]-4-(1-oxopropyl)-, methyl ester - ≥98% CAS No(1191272-69-1) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/H/1/H1021255.jpg)