Moligand™ Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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.
| Sorrisi canonici | CCOc1ccc(cc1c1nc(=O)c2c([nH]1)c(nn2C)C(C)(C)C)S(=O)(=O)NC(C)(C)C |
|---|---|
| IUPAC Name | N-tert-butyl-3-(3-tert-butyl-1-methyl-7-oxo-4H-pyrazolo[5,4-e]pyrimidin-5-yl)-4-ethoxybenzenesulfonamide |
| InChIKey | VMVZVLPMWCBOFI-UHFFFAOYSA-N |
| INCHI | 1S/C22H31N5O4S/c1-9-31-15-11-10-13(32(29,30)26-22(5,6)7)12-14(15)19-23-16-17(20(28)24-19)27(8)25-18(16)21(2,3)4/h10-12,26H,9H2,1-8H3,(H,23,24,28) |
| Isomeri SMILES | CCOC1=C(C=C(C=C1)S(=O)(=O)NC(C)(C)C)C2=NC3=C(C(=O)N2)N(N=C3C(C)(C)C)C |
| PubChem CID | 135419200 |
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 |
| Classe | Benzene and substituted derivatives |
| Subclass | Benzenesulfonamides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzenesulfonamides |
| Alternative Parents | Pyrazolopyrimidines Benzenesulfonyl compounds Phenoxy compounds Phenol ethers Alkyl aryl ethers Pyrimidones Organosulfonamides Vinylogous amides Aminosulfonyl compounds Pyrazoles Heteroaromatic compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzenesulfonamide - Pyrazolopyrimidine - Benzenesulfonyl group - Phenoxy compound - Phenol ether - Alkyl aryl ether - Pyrimidone - Pyrimidine - Organosulfonic acid amide - Azole - Pyrazole - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Vinylogous amide - Ether - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Aromatic heteropolycyclic compound |
| Descrizione | 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 |
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| Peso molecolare | 461.600 g/mol |
|---|---|
| XLogP3 | 3.000 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 7 |
| Exact Mass | 461.21 Da |
| Monoisotopic Mass | 461.21 Da |
| Topological Polar Surface Area | 123.000 Ų |
| Heavy Atom Count | 32 |
| Formal Charge | 0 |
| Complexity | 840.000 |
| 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 |
Our grade selection guide covers purity, stabilizer status, and application suitability for all variants in our catalog.
View Moligand™ grade guide →
