≥95% 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.
| Canonical Smiles | CCOC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)C#N)S(=O)(=O)Cl |
|---|---|
| IUPAC Name | 5-[(4-cyanobenzoyl)amino]-2-ethoxybenzenesulfonyl chloride |
| InChIKey | HTEWIFIYUSISGY-UHFFFAOYSA-N |
| INCHI | 1S/C16H13ClN2O4S/c1-2-23-14-8-7-13(9-15(14)24(17,21)22)19-16(20)12-5-3-11(10-18)4-6-12/h3-9H,2H2,1H3,(H,19,20) |
| Isomeric SMILES | CCOC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)C#N)S(=O)(=O)Cl |
| Alternate CAS | 680618-02-4 |
| PubChem CID | 53406940 |
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 | Anilides |
| Intermediate Tree Nodes | Aromatic anilides |
| Direct Parent | Benzanilides |
| Alternative Parents | Benzenesulfonyl chlorides Benzamides Phenoxy compounds Phenol ethers Benzoyl derivatives Benzonitriles Alkyl aryl ethers Sulfonyls Sulfonyl chlorides Organosulfonic acids and derivatives Secondary carboxylic acid amides Nitriles Organopnictogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Benzanilide - Benzenesulfonyl chloride - Benzamide - Benzoic acid or derivatives - Benzenesulfonyl group - Phenoxy compound - Benzonitrile - Benzoyl - Phenol ether - Alkyl aryl ether - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Sulfonyl halide - Sulfonyl chloride - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Ether - Carbonitrile - Nitrile - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Cyanide - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzanilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with a benzene ring. They have the general structure RNC(=O)R', where R,R'= benzene. |
| External Descriptors | Not available |
| Molecular Weight | 364.800 g/mol |
|---|---|
| XLogP3 | 2.800 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Exact Mass | 364.028 Da |
| Monoisotopic Mass | 364.028 Da |
| Topological Polar Surface Area | 105.000 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 587.000 |
| 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 |
