≥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 | CC1=CC=C(C=C1)S(=O)(=O)N2CCCC(=O)C3=C2C=CC(=C3)Cl |
|---|---|
| IUPAC Name | 7-chloro-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-1-benzazepin-5-one |
| InChIKey | UMJJRQXJGYESBD-UHFFFAOYSA-N |
| INCHI | 1S/C17H16ClNO3S/c1-12-4-7-14(8-5-12)23(21,22)19-10-2-3-17(20)15-11-13(18)6-9-16(15)19/h4-9,11H,2-3,10H2,1H3 |
| Isomeric SMILES | CC1=CC=C(C=C1)S(=O)(=O)N2CCCC(=O)C3=C2C=CC(=C3)Cl |
| PubChem CID | 66553764 |
| Molecular Weight | 349.83 |
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 | Toluenes |
| Intermediate Tree Nodes | Tosyl compounds - P-toluenesulfonamides |
| Direct Parent | N,N-disubstituted p-toluenesulfonamides |
| Alternative Parents | Benzazepines Benzenesulfonamides Benzenesulfonyl compounds Aryl alkyl ketones Azepines Organosulfonamides Aryl chlorides Vinylogous amides Sulfonyls Azacyclic compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | N,n-disubstituted p-toluenesulfonamide - Benzazepine - Benzenesulfonamide - Benzenesulfonyl group - Aryl alkyl ketone - Aryl ketone - Azepine - Aryl chloride - Aryl halide - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Vinylogous amide - Sulfonyl - Organosulfonic acid or derivatives - Ketone - Azacycle - Organoheterocyclic compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as n,n-disubstituted p-toluenesulfonamides. These are p-toluenesulfonamide derivatives in which the sulfonamide moiety is N,N-disubstituted. |
| External Descriptors | Not available |
| Molecular Weight | 349.800 g/mol |
|---|---|
| XLogP3 | 3.500 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 349.054 Da |
| Monoisotopic Mass | 349.054 Da |
| Topological Polar Surface Area | 62.800 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 537.000 |
| 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 |
![7-Chloro-1-(toluene-4-sulfonyl)-1,2,3,4-tetrahydro-benzo[b]azepin-5-one - ≥95% , CAS No.193686-76-9](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)