for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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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.
| Sonrisas canónicas | C1CCC2=C(CC1)SC3=C2C(=NC=N3)SCC(=O)NC4=CC=C(C=C4)S(=O)(=O)N |
|---|---|
| IUPAC Name | N-(4-sulfamoylphenyl)-2-(8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-3-ylsulfanyl)acetamide |
| InChIKey | OOZVLJMGPNDOHW-UHFFFAOYSA-N |
| INCHI | 1S/C19H20N4O3S3/c20-29(25,26)13-8-6-12(7-9-13)23-16(24)10-27-18-17-14-4-2-1-3-5-15(14)28-19(17)22-11-21-18/h6-9,11H,1-5,10H2,(H,23,24)(H2,20,25,26) |
| Peso molecular | 448.600 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Clase | Benzene and substituted derivatives |
| Subclass | Benzenesulfonamides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzenesulfonamides |
| Alternative Parents | Anilides Thienopyrimidines Benzenesulfonyl compounds N-arylamides Alkylarylthioethers Pyrimidines and pyrimidine derivatives Organosulfonamides Heteroaromatic compounds Thiophenes Aminosulfonyl compounds Secondary carboxylic acid amides Sulfenyl compounds Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzenesulfonamide - Thienopyrimidine - Benzenesulfonyl group - Anilide - Aryl thioether - N-arylamide - Alkylarylthioether - Pyrimidine - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Thiophene - Aminosulfonyl compound - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Thioether - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Carboxylic acid derivative - Organic oxide - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Carbonyl group - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring. |
| External Descriptors | Not available |
| Peso molecular | 448.600 g/mol |
|---|---|
| XLogP3 | 3.600 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 5 |
| Exact Mass | 448.07 Da |
| Monoisotopic Mass | 448.07 Da |
| Topological Polar Surface Area | 177.000 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 679.000 |
| 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-sulfamoylphenyl)-2-((6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-yl)thio)acetamide , CAS No.690642-53-6](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)