5-Chloro-2-methoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide - ≥95% , CAS No.16673-34-0

CAS: 16673-34-0 Cat. No.: C124772 Molecular Weight: 368.84 EC Number: 240-722-5

GRADE & PURITY ≥95%

Synonyms

4-[2-(5-Chloro-2-methoxybenzamido) ethyl] benzenesulfonamide; N-[2-[4-(Aminosulfonyl)phenyl]ethyl]-5-chloro-2-methoxy-benzamide; 5-Chloro-N-(p-sulfamoylphenethyl)-o-anisamide; 4-[2-(2-Methoxy-5-chlorobenzene-1-carboxamido)ethyl]benzenesulfonamide | 4-[2-(

Storage

Room temperature

Shipped In

Normal

Overview

5-Chloro-2-methoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide is an organic building block. It has been reported as an intermediate in the synthesis of glyburide. Synthesis of 5-chloro-2-methoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide has been reported.

Specifications

Synonyms

4-[2-(5-Chloro-2-methoxybenzamido) ethyl] benzenesulfonamide; N-[2-[4-(Aminosulfonyl)phenyl]ethyl]-5-chloro-2-methoxy-benzamide; 5-Chloro-N-(p-sulfamoylphenethyl)-o-anisamide; 4-[2-(2-Methoxy-5-chlorobenzene-1-carboxamido)ethyl]benzenesulfonamide | 4-[2-(

Specifications & Purity

≥95%

Storage

Room temperature

Shipped In

Normal

Action Type

INHIBITOR

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 504755817
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504755817
• Canonical Smiles: COC1=C(C=C(C=C1)Cl)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N
• IUPAC Name: 5-chloro-2-methoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
• InChIKey: KVWWTCSJLGHLRM-UHFFFAOYSA-N
• INCHI: 1S/C16H17ClN2O4S/c1-23-15-7-4-12(17)10-14(15)16(20)19-9-8-11-2-5-13(6-3-11)24(18,21)22/h2-7,10H,8-9H2,1H3,(H,19,20)(H2,18,21,22)
• Isomeric SMILES: COC1=C(C=C(C=C1)Cl)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N
• WGK Germany: 3
• Molecular Weight: 368.84
• Reaxy-Rn: 2172928
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2172928&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Benzenesulfonamides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzenesulfonamides
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzenesulfonamides
• Alternative Parents: 3-halobenzoic acids and derivatives Benzenesulfonyl compounds Benzamides Phenoxy compounds Anisoles Methoxybenzenes Benzoyl derivatives Alkyl aryl ethers Chlorobenzenes Organosulfonamides Aryl chlorides Aminosulfonyl compounds Secondary carboxylic acid amides Hydrocarbon derivatives Organic oxides Organochlorides Organonitrogen compounds Organopnictogen compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzenesulfonamide - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoic acid or derivatives - Benzamide - Benzenesulfonyl group - Phenoxy compound - Anisole - Phenol ether - Benzoyl - Methoxybenzene - Halobenzene - Chlorobenzene - Alkyl aryl ether - Organosulfonic acid amide - Aryl chloride - Aryl halide - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Aminosulfonyl compound - Secondary carboxylic acid amide - Carboxamide group - Ether - Carboxylic acid derivative - Organonitrogen compound - Organic oxygen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organochloride - Organohalogen compound - Aromatic homomonocyclic 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.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(non-human)

Mus musculus (284745 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Melt Point(°C): 209-214°C
• Molecular Weight: 368.800 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 368.06 Da
• Monoisotopic Mass: 368.06 Da
• Topological Polar Surface Area: 107.000 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 515.000
• 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

References

1. Yan Wu, Yacheng Zhang, Jie Zhang, Tingting Zhai, Jingping Hu, Hairong Luo, Haiyan Zhou, Qinghai Zhang, Zhiguang Zhou, Feng Liu.  (2020)  Cathelicidin aggravates myocardial ischemia/reperfusion injury via activating TLR4 signaling and P2X7R/NLRP3 inflammasome.  JOURNAL OF MOLECULAR AND CELLULAR CARDIOLOGY,      [PMID:31982429] [10.1016/j.yjmcc.2019.12.011]