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· · COA & SDS available for every product · Same-day shipping on in-stock items 4-methyl-N-pentan-2-ylbenzenesulfonamide , CAS No.M668839
Synonyms
4-methyl-N-(1-methylbutyl)benzenesulfonamide | 4-methyl-N-(pentan-2-yl)benzenesulfonamide | 4-methyl-N-pentan-2-ylbenzenesulfonamide | CBMicro_010018 | Cambridge id 6111649 | Oprea1_416129 | SMSF0014162 | BDBM50046166 | STK004748 | AKOS003260134 | AKOS022
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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
4-methyl-N-(1-methylbutyl)benzenesulfonamide | 4-methyl-N-(pentan-2-yl)benzenesulfonamide | 4-methyl-N-pentan-2-ylbenzenesulfonamide | CBMicro_010018 | Cambridge id 6111649 | Oprea1_416129 | SMSF0014162 | BDBM50046166 | STK004748 | AKOS003260134 | AKOS022
Product Properties Names and Identifiers Canonical Smiles CCCC(C)NS(=O)(=O)C1=CC=C(C=C1)C IUPAC Name 4-methyl-N-pentan-2-ylbenzenesulfonamide InChIKey ODMWZCBRHGGIGM-UHFFFAOYSA-N INCHI 1S/C12H19NO2S/c1-4-5-11(3)13-16(14,15)12-8-6-10(2)7-9-12/h6-9,11,13H,4-5H2,1-3H3 Isomeric SMILES CCCC(C)NS(=O)(=O)C1=CC=C(C=C1)C Molecular Weight 241.35 Reaxy-Rn 9258907 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9258907&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 Toluenes Intermediate Tree Nodes Tosyl compounds Direct Parent P-toluenesulfonamides Alternative Parents Benzenesulfonamides Benzenesulfonyl compounds Organosulfonamides Aminosulfonyl compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic homomonocyclic compounds Substituents P-toluenesulfonamide - Benzenesulfonamide - Benzenesulfonyl group - Organosulfonic acid amide - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Aromatic homomonocyclic compound Description This compound belongs to the class of organic compounds known as p-toluenesulfonamides. These are aromatic heterocyclic compounds containing a toluene that is p-substituted with a sulfonamide group. 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) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Molecular Weight 241.350 g/mol XLogP3 2.900 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 5 Exact Mass 241.114 Da Monoisotopic Mass 241.114 Da Topological Polar Surface Area 54.600 Ų Heavy Atom Count 16 Formal Charge 0 Complexity 287.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 Undefined Atom Stereocenter Count 1 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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