≥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 | 504761799 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504761799 |
| Canonical Smiles | CC1=CC=C(C=C1)S(=O)(=O)N2C=CC(=C2)C(=O)C3=CC=CC=C3 |
| IUPAC Name | [1-(4-methylphenyl)sulfonylpyrrol-3-yl]-phenylmethanone |
| InChIKey | WRDSTJINSJFSNC-UHFFFAOYSA-N |
| INCHI | 1S/C18H15NO3S/c1-14-7-9-17(10-8-14)23(21,22)19-12-11-16(13-19)18(20)15-5-3-2-4-6-15/h2-13H,1H3 |
| Isomeric SMILES | CC1=CC=C(C=C1)S(=O)(=O)N2C=CC(=C2)C(=O)C3=CC=CC=C3 |
| Molecular Weight | 325.4 |
| Reaxy-Rn | 6932446 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6932446&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 | Organic oxygen compounds |
| Class | Organooxygen compounds |
| Subclass | Carbonyl compounds |
| Intermediate Tree Nodes | Ketones - Aryl ketones - Phenylketones |
| Direct Parent | Aryl-phenylketones |
| Alternative Parents | Tosyl compounds Benzenesulfonamides Benzenesulfonyl compounds Benzoyl derivatives Substituted pyrroles Vinylogous amides Sulfonyls Organosulfonic acids and derivatives Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Aryl-phenylketone - Benzenesulfonamide - Tosyl compound - Benzenesulfonyl group - Benzoyl - Toluene - Monocyclic benzene moiety - Substituted pyrrole - Benzenoid - Pyrrole - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Heteroaromatic compound - Vinylogous amide - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxide - Organonitrogen compound - Organosulfur compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as aryl-phenylketones. These are aromatic compounds containing a ketone substituted by one aryl group, and a phenyl group. |
| External Descriptors | Not available |
| Molecular Weight | 325.400 g/mol |
|---|---|
| XLogP3 | 3.600 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 325.077 Da |
| Monoisotopic Mass | 325.077 Da |
| Topological Polar Surface Area | 64.500 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 511.000 |
| 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 |
L2208749