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· · COA & SDS available for every product · Same-day shipping on in-stock items 4-chloro-N-[(1,5-dimethyl-1H-pyrrol-2-yl)methyl]-3-sulfamoylbenzamide , CAS No.793731-95-0 🧪
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.
Product Properties Names and Identifiers Canonical Smiles CN1C(C)=CC=C1CNC(=O)C1=CC(=C(Cl)C=C1)S(N)(=O)=O IUPAC Name 4-chloro-N-[(1,5-dimethylpyrrol-2-yl)methyl]-3-sulfamoylbenzamide InChIKey CCCUCFFNMWDEOF-UHFFFAOYSA-N INCHI 1S/C14H16ClN3O3S/c1-9-3-5-11(18(9)2)8-17-14(19)10-4-6-12(15)13(7-10)22(16,20)21/h3-7H,8H2,1-2H3,(H,17,19)(H2,16,20,21) Isomeric SMILES CC1=CC=C(N1C)CNC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N Alternate CAS 793731-95-0 PubChem CID 2567983 Molecular Weight 341.8
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 Benzenesulfonamides Intermediate Tree Nodes Not available Direct Parent Benzenesulfonamides Alternative Parents 4-halobenzoic acids and derivatives Benzamides Benzenesulfonyl compounds Benzoyl derivatives Chlorobenzenes Organosulfonamides Aryl chlorides N-methylpyrroles Aminosulfonyl compounds Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Organonitrogen compounds Organooxygen compounds Organopnictogen compounds Molecular Framework Aromatic heteromonocyclic compounds Substituents Benzenesulfonamide - Halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Benzamide - Benzenesulfonyl group - Benzoic acid or derivatives - Benzoyl - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - N-methylpyrrole - Substituted pyrrole - Organosulfonic acid amide - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Pyrrole - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Organochloride - Organohalogen compound - Organosulfur compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen 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 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 341.800 g/mol XLogP3 1.100 Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 4 Rotatable Bond Count 4 Exact Mass 341.06 Da Monoisotopic Mass 341.06 Da Topological Polar Surface Area 103.000 Ų Heavy Atom Count 22 Formal Charge 0 Complexity 508.000 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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