analytical standard, ≥95% Analytical standard 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 | CCNC(=O)NS(=O)(=O)C1=C(C=CN=C1)NC2=CC=CC(=C2)C |
|---|---|
| IUPAC Name | 1-ethyl-3-[4-(3-methylanilino)pyridin-3-yl]sulfonylurea |
| InChIKey | ZPXQRKMODMEHCM-UHFFFAOYSA-N |
| INCHI | 1S/C15H18N4O3S/c1-3-17-15(20)19-23(21,22)14-10-16-8-7-13(14)18-12-6-4-5-11(2)9-12/h4-10H,3H2,1-2H3,(H,16,18)(H2,17,19,20) |
| Isomeric SMILES | CCNC(=O)NS(=O)(=O)C1=C(C=CN=C1)NC2=CC=CC(=C2)C |
| PubChem CID | 12457653 |
| Molecular Weight | 334.39 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Pyridines and derivatives |
| Subclass | Pyridinesulfonamides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyridinesulfonamides |
| Alternative Parents | Aniline and substituted anilines Aminotoluenes Sulfonylureas Aminopyridines and derivatives Primary aromatic amines Organosulfonic acids and derivatives Heteroaromatic compounds Aminosulfonyl compounds Secondary amines Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Pyridine-3-sulfonamide - Aminotoluene - Aniline or substituted anilines - Aminopyridine - Sulfonylurea - Toluene - Monocyclic benzene moiety - Primary aromatic amine - Benzenoid - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Heteroaromatic compound - Aminosulfonyl compound - Secondary amine - Azacycle - Amine - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as pyridinesulfonamides. These are heterocyclic compounds containing a pyridine ring substituted by one or more sulfonamide groups. |
| External Descriptors | Not available |
| Molecular Weight | 334.400 g/mol |
|---|---|
| XLogP3 | 2.300 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Exact Mass | 334.11 Da |
| Monoisotopic Mass | 334.11 Da |
| Topological Polar Surface Area | 109.000 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 491.000 |
| 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 |
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