N-(2-Phenoxyphenyl)methanesulfonamide - ≥97% , CAS No.51765-51-6

CAS: 51765-51-6 Cat. No.: N589332 Molecular Weight: 263.31 EC Number: 257-399-1

GRADE & PURITY ≥97%

Synonyms

HMS2186J19 | N-(2-phenoxyphenyl)methanesulfonamide | N-[2-(phenoxy)phenyl]methanesulfonamide | SR-01000258076 | MFCD03389778 | EINECS 257-399-1 | SMR000109813 | MLS000113923 | Cambridge id 7303009 | DTXSID40966070 | 2-Phenoxymethanesulfoanilide | AS-15109

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Overview

2'-Phenoxymethanesulfonanilide is a metabolite of nimesulide , which is an antiinflammatory agent. It preferentially inhibits COX-2 over COX-1 and suppresses chemical-induced carcinogenesis in mice and rats. Nimesulide also nhibits LPS-induced TNF-alpha production.

Specifications

Synonyms

HMS2186J19 | N-(2-phenoxyphenyl)methanesulfonamide | N-[2-(phenoxy)phenyl]methanesulfonamide | SR-01000258076 | MFCD03389778 | EINECS 257-399-1 | SMR000109813 | MLS000113923 | Cambridge id 7303009 | DTXSID40966070 | 2-Phenoxymethanesulfoanilide | AS-15109

Specifications & Purity

≥97%

Storage

Store at 2-8°C, Protected from light, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Canonical Smiles: CS(=O)(=O)NC1=CC=CC=C1OC2=CC=CC=C2
• IUPAC Name: N-(2-phenoxyphenyl)methanesulfonamide
• InChIKey: WSFHNGGYRUTXFN-UHFFFAOYSA-N
• INCHI: 1S/C13H13NO3S/c1-18(15,16)14-12-9-5-6-10-13(12)17-11-7-3-2-4-8-11/h2-10,14H,1H3
• Isomeric SMILES: CS(=O)(=O)NC1=CC=CC=C1OC2=CC=CC=C2
• Molecular Weight: 263.31
• Reaxy-Rn: 2863593
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2863593&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Diphenylethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylethers
• Alternative Parents: Diarylethers Sulfanilides Phenoxy compounds Phenol ethers Organosulfonamides Organic sulfonamides Aminosulfonyl compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diphenylether - Diaryl ether - Sulfanilide - Phenoxy compound - Phenol ether - Organic sulfonic acid amide - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Ether - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as diphenylethers. These are aromatic compounds containing two benzene rings linked to each other through an ether 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.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(non-human)

Plasmodium falciparum (966862 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

• Solubility: Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
• Sensitivity: light sensitive
• Molecular Weight: 263.310 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 263.062 Da
• Monoisotopic Mass: 263.062 Da
• Topological Polar Surface Area: 63.800 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 344.000
• 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