Determine the necessary mass, volume, or concentration for preparing a solution.
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Moligand™, ≥98%(HPLC) Moligand™ 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 5 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| ALogP | 0.7 |
|---|
| Pubchem Sid | 488180928 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488180928 |
| Canonical Smiles | COC1=NC=CN=C1NS(=O)(=O)C2=CC=C(C=C2)N |
| IUPAC Name | 4-amino-N-(3-methoxypyrazin-2-yl)benzenesulfonamide |
| InChIKey | KXRZBTAEDBELFD-UHFFFAOYSA-N |
| INCHI | 1S/C11H12N4O3S/c1-18-11-10(13-6-7-14-11)15-19(16,17)9-4-2-8(12)3-5-9/h2-7H,12H2,1H3,(H,13,15) |
| Isomeric SMILES | COC1=NC=CN=C1NS(=O)(=O)C2=CC=C(C=C2)N |
| RTECS | WP0175000 |
| PubChem CID | 9047 |
| Molecular Weight | 280.3 |
| Reaxy-Rn | 622512 |
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 | Benzenesulfonamides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzenesulfonamides |
| Alternative Parents | Benzenesulfonyl compounds Methoxypyrazines Aniline and substituted anilines Alkyl aryl ethers Imidolactams Sulfonyls Organosulfonic acids and derivatives Heteroaromatic compounds Azacyclic compounds Primary amines Organopnictogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Benzenesulfonamide - Benzenesulfonyl group - Methoxypyrazine - Aniline or substituted anilines - Alkyl aryl ether - Pyrazine - Imidolactam - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Heteroaromatic compound - Ether - Organoheterocyclic compound - Azacycle - Amine - Organic nitrogen compound - Organic oxide - Primary amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteromonocyclic compound |
| Description | 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 | pyrazines - sulfonamide - sulfonamide antibiotic |
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| Solubility | Slightly soluble in Methanol |
|---|---|
| Melt Point(°C) | 176°C-180°C |
| Molecular Weight | 280.310 g/mol |
| XLogP3 | 0.700 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 4 |
| Exact Mass | 280.063 Da |
| Monoisotopic Mass | 280.063 Da |
| Topological Polar Surface Area | 116.000 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 376.000 |
| 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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