≥95% 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 | C1=CC(=C(C(=C1)NS(=O)(=O)C2=C(C=CC=C2F)F)F)C(=O)CC3=NC(=NC=C3)Cl |
|---|---|
| IUPAC Name | N-[3-[2-(2-chloropyrimidin-4-yl)acetyl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide |
| InChIKey | JENXIOQPSJSXEN-UHFFFAOYSA-N |
| INCHI | 1S/C18H11ClF3N3O3S/c19-18-23-8-7-10(24-18)9-15(26)11-3-1-6-14(16(11)22)25-29(27,28)17-12(20)4-2-5-13(17)21/h1-8,25H,9H2 |
| Isomeric SMILES | C1=CC(=C(C(=C1)NS(=O)(=O)C2=C(C=CC=C2F)F)F)C(=O)CC3=NC(=NC=C3)Cl |
| Alternate CAS | 1195768-20-7 |
| PubChem CID | 57989720 |
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 | Alkyl-phenylketones |
| Alternative Parents | Sulfanilides Benzenesulfonamides Benzenesulfonyl compounds Aryl alkyl ketones Benzoyl derivatives 2-halopyrimidines Fluorobenzenes Organosulfonamides Aryl chlorides Aryl fluorides Vinylogous halides Aminosulfonyl compounds Heteroaromatic compounds Azacyclic compounds Organochlorides Organofluorides Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Alkyl-phenylketone - Sulfanilide - Benzenesulfonamide - Benzenesulfonyl group - Aryl alkyl ketone - Benzoyl - 2-halopyrimidine - Fluorobenzene - Halobenzene - Halopyrimidine - Monocyclic benzene moiety - Pyrimidine - Aryl chloride - Benzenoid - Organosulfonic acid amide - Aryl halide - Aryl fluoride - Heteroaromatic compound - Vinylogous halide - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Organoheterocyclic compound - Azacycle - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organochloride - Organofluoride - Organonitrogen compound - Organosulfur compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group. |
| External Descriptors | Not available |
| Molecular Weight | 441.800 g/mol |
|---|---|
| XLogP3 | 3.300 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 6 |
| Exact Mass | 441.016 Da |
| Monoisotopic Mass | 441.016 Da |
| Topological Polar Surface Area | 97.400 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 671.000 |
| 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 |
