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· · COA & SDS available for every product · Same-day shipping on in-stock items 5-Methyl-2-[(phenylsulfonyl)amino]benzoic acid , CAS No.138964-56-4
Synonyms
5-METHYL-2-[(PHENYLSULFONYL)AMINO]BENZOIC ACID | 2-benzenesulfonamido-5-methylbenzoic acid | 1yw7 | sulfonamide compound, 4 | 5-methyl-2-(phenylsulfonamido)benzoic acid | 2-(benzenesulfonamido)-5-methylbenzoic acid | A41 | Anthranilic Acid Sulfonamide, 4
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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
5-METHYL-2-[(PHENYLSULFONYL)AMINO]BENZOIC ACID | 2-benzenesulfonamido-5-methylbenzoic acid | 1yw7 | sulfonamide compound, 4 | 5-methyl-2-(phenylsulfonamido)benzoic acid | 2-(benzenesulfonamido)-5-methylbenzoic acid | A41 | Anthranilic Acid Sulfonamide, 4
Product Properties Names and Identifiers Canonical Smiles CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC=CC=C2)C(=O)O IUPAC Name 2-(benzenesulfonamido)-5-methylbenzoic acid InChIKey HXQLTRSIZRSFTR-UHFFFAOYSA-N INCHI 1S/C14H13NO4S/c1-10-7-8-13(12(9-10)14(16)17)15-20(18,19)11-5-3-2-4-6-11/h2-9,15H,1H3,(H,16,17) Isomeric SMILES CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC=CC=C2)C(=O)O Molecular Weight 291.32 Reaxy-Rn 4813159 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4813159&ln=
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.
View spec sheet →
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 Benzoic acids Benzenesulfonyl compounds Benzoyl derivatives Toluenes Organosulfonamides Vinylogous amides Aminosulfonyl compounds Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic homomonocyclic compounds Substituents Benzenesulfonamide - Sulfanilide - Benzoic acid or derivatives - Benzoic acid - Benzenesulfonyl group - Benzoyl - Toluene - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Vinylogous amide - Sulfonyl - Aminosulfonyl compound - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Aromatic homomonocyclic 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 291.320 g/mol XLogP3 2.900 Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 5 Rotatable Bond Count 4 Exact Mass 291.057 Da Monoisotopic Mass 291.057 Da Topological Polar Surface Area 91.900 Ų Heavy Atom Count 20 Formal Charge 0 Complexity 437.000 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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