≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads 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 | CC(=O)NC1=CC=C(C=C1)NC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-] |
|---|---|
| IUPAC Name | N-[4-(4-methylsulfonyl-2-nitroanilino)phenyl]acetamide |
| InChIKey | JXZXJHWSQKISBZ-UHFFFAOYSA-N |
| INCHI | 1S/C15H15N3O5S/c1-10(19)16-11-3-5-12(6-4-11)17-14-8-7-13(24(2,22)23)9-15(14)18(20)21/h3-9,17H,1-2H3,(H,16,19) |
| Molecular Weight | 349.4 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Aniline and substituted anilines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Sulfonylanilines |
| Alternative Parents | Acetanilides Nitrobenzenes N-acetylarylamines Benzenesulfonyl compounds Nitroaromatic compounds Primary aromatic amines Sulfones Acetamides Secondary carboxylic acid amides Amino acids and derivatives Secondary amines Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Acetanilide - Sulfonylaniline - Nitrobenzene - Anilide - Benzenesulfonyl group - N-acetylarylamine - Nitroaromatic compound - N-arylamide - Primary aromatic amine - Acetamide - Sulfone - Sulfonyl - Carboxamide group - Organic nitro compound - Amino acid or derivatives - C-nitro compound - Secondary carboxylic acid amide - Carboxylic acid derivative - Organic oxoazanium - Organic 1,3-dipolar compound - Secondary amine - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organooxygen compound - Organonitrogen compound - Amine - Organic salt - Organic oxygen compound - Organosulfur compound - Organic oxide - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic zwitterion - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as sulfonylanilines. These are compounds containing an aniline moiety, which is para-substituted by a sulfonyl group. |
| External Descriptors | Not available |
| Molecular Weight | 349.400 g/mol |
|---|---|
| XLogP3 | 2.300 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 4 |
| Exact Mass | 349.073 Da |
| Monoisotopic Mass | 349.073 Da |
| Topological Polar Surface Area | 129.000 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 561.000 |
| 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 |
![N-(4-{[4-(methylsulfonyl)-2-nitrophenyl]amino}phenyl)acetamide - ≥99% CAS No(315239-63-5) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/N/1/N1322841.jpg)