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· · COA & SDS available for every product · Same-day shipping on in-stock items Methyl 5-[isonicotinoyl(phenylsulfonyl)amino]-2-methyl-1-benzofuran-3-carboxylate , CAS No.313393-99-6
Synonyms
methyl 5-[isonicotinoyl(phenylsulfonyl)amino]-2-methyl-1-benzofuran-3-carboxylate | methyl 5-[benzenesulfonyl(pyridine-4-carbonyl)amino]-2-methyl-1-benzofuran-3-carboxylate | methyl 5-[N-(benzenesulfonyl)pyridine-4-amido]-2-methyl-1-benzofuran-3-carboxyla
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Why this grade for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature Ships Check lot-specific COA for exact specifications.
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Quality documents SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
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Literature proof Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Synonyms
methyl 5-[isonicotinoyl(phenylsulfonyl)amino]-2-methyl-1-benzofuran-3-carboxylate | methyl 5-[benzenesulfonyl(pyridine-4-carbonyl)amino]-2-methyl-1-benzofuran-3-carboxylate | methyl 5-[N-(benzenesulfonyl)pyridine-4-amido]-2-methyl-1-benzofuran-3-carboxyla
Product Properties Names and Identifiers Canonical Smiles CC1=C(C2=C(O1)C=CC(=C2)N(C(=O)C3=CC=NC=C3)S(=O)(=O)C4=CC=CC=C4)C(=O)OC IUPAC Name methyl 5-[benzenesulfonyl(pyridine-4-carbonyl)amino]-2-methyl-1-benzofuran-3-carboxylate InChIKey DKISKQNHOKXADD-UHFFFAOYSA-N INCHI 1S/C23H18N2O6S/c1-15-21(23(27)30-2)19-14-17(8-9-20(19)31-15)25(22(26)16-10-12-24-13-11-16)32(28,29)18-6-4-3-5-7-18/h3-14H,1-2H3 Isomeric SMILES CC1=C(C2=C(O1)C=CC(=C2)N(C(=O)C3=CC=NC=C3)S(=O)(=O)C4=CC=CC=C4)C(=O)OC PubChem CID 1365490 Molecular Weight 450.5
Documentation 📋 Safety Data Sheet (SDS) Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS → ✅ Certificate of Analysis (COA) Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA → 📊 Datasheet Quick-reference summary of product specifications and applications.
View datasheet → 🔬 Specification Sheet Full quality attributes and acceptance criteria for this grade.
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Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Benzenoids Class Benzene and substituted derivatives Subclass Sulfanilides Intermediate Tree Nodes Not available Direct Parent Sulfanilides Alternative Parents Benzenesulfonamides Pyridinecarboxylic acids and derivatives Benzenesulfonyl compounds Benzofurans Furoic acid esters Furan-3-carboxylic acid esters Aminosulfonyl compounds Organosulfonic acids and derivatives Heteroaromatic compounds Methyl esters Oxacyclic compounds Azacyclic compounds Monocarboxylic acids and derivatives Organonitrogen compounds Organooxygen compounds Organopnictogen compounds Hydrocarbon derivatives Organic oxides Molecular Framework Aromatic heteropolycyclic compounds Substituents Benzenesulfonamide - Sulfanilide - Furoic acid ester - Benzenesulfonyl group - Pyridine carboxylic acid or derivatives - Benzofuran - Furoic acid or derivatives - Furan-3-carboxylic acid ester - Furan-3-carboxylic acid or derivatives - Pyridine - Furan - Heteroaromatic compound - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Methyl ester - Sulfonyl - Aminosulfonyl compound - Carboxylic acid ester - Organoheterocyclic compound - Azacycle - Oxacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as sulfanilides. These are organic aromatic compounds containing a sulfanilide moiety, with the general structure RS(=O)(=O)NC1=CC=CC=C1. External Descriptors Not available Data sources 1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Molecular Weight 450.500 g/mol XLogP3 3.700 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 7 Rotatable Bond Count 6 Exact Mass 450.089 Da Monoisotopic Mass 450.089 Da Topological Polar Surface Area 115.000 Ų Heavy Atom Count 32 Formal Charge 0 Complexity 785.000 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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