≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C Ships Wet ice 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)N2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C |
|---|---|
| IUPAC Name | 1,4-bis-(4-methylphenyl)sulfonyl-1,4-diazepane |
| InChIKey | ORANQSHSAIBPEC-UHFFFAOYSA-N |
| INCHI | 1S/C19H24N2O4S2/c1-16-4-8-18(9-5-16)26(22,23)20-12-3-13-21(15-14-20)27(24,25)19-10-6-17(2)7-11-19/h4-11H,3,12-15H2,1-2H3 |
| Isomeric SMILES | CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C |
| PubChem CID | 373718 |
| Molecular Weight | 408.54 |
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 | Benzenesulfonamides Benzenesulfonyl compounds 1,4-diazepanes Organosulfonamides Sulfonyls Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | N,n-disubstituted p-toluenesulfonamide - Benzenesulfonamide - Benzenesulfonyl group - 1,4-diazepane - Diazepane - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Organoheterocyclic compound - Azacycle - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Organosulfur compound - Organonitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic 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 |
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| Molecular Weight | 408.500 g/mol |
|---|---|
| XLogP3 | 2.800 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 4 |
| Exact Mass | 408.118 Da |
| Monoisotopic Mass | 408.118 Da |
| Topological Polar Surface Area | 91.500 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 620.000 |
| 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 |
J2515464