4-Methoxybenzenesulfonamide - ≥97% , CAS No.1129-26-6

CAS: 1129-26-6 Cat. No.: M165982 Fórmula: C₇H₉NO₃S Peso molecular: 187.22 Número CE: 846-091-8

GRADE & PURITY ≥97%

Synonyms

M4S | 4-Methoxybenzenesulfonamide, 97% | Q27462925 | 4-methoxybenzene-1-sulfonamide | 4-Methoxybenzenesulfonamide | 4-Methoxy-benzenesulfonamide | Cambridge id 5104005 | 4-Methoxybenzenesulphonamide | 4-methoxy benzenesulfonamide | N-METHYL-3,4-METHYLENED

Storage

Room temperature

Shipped In

Normal

Visão geral

4-Methoxybenzenesulfonamide, also known as p-methoxybenzenesulfonamide, is an aromatic sulfonamide. It can undergo polyaddition with vinyloxiranes in the presence of a palladium catalyst.
4-Methoxybenzenesulfonamide may be used in the preparation of S,S-dimethyl-N-p-methoxybenzenesulfonylsulfilimine. It may also be used as a ligand to generate novel bis-tetrahydrofuran-based human immunodeficiency virus (HIV) protease inhibitor.

Specifications

Sinónimos

M4S | 4-Methoxybenzenesulfonamide, 97% | Q27462925 | 4-methoxybenzene-1-sulfonamide | 4-Methoxybenzenesulfonamide | 4-Methoxy-benzenesulfonamide | Cambridge id 5104005 | 4-Methoxybenzenesulphonamide | 4-methoxy benzenesulfonamide | N-METHYL-3,4-METHYLENED

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥97%

Nomes e identificadores

• Pubchem Sid: 488184595
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488184595
• Sorrisos canónicos: COC1=CC=C(C=C1)S(=O)(=O)N
• IUPAC Name: 4-methoxybenzenesulfonamide
• InChIKey: MSFQEZBRFPAFEX-UHFFFAOYSA-N
• INCHI: 1S/C7H9NO3S/c1-11-6-2-4-7(5-3-6)12(8,9)10/h2-5H,1H3,(H2,8,9,10)
• SMILES isoméricas: COC1=CC=C(C=C1)S(=O)(=O)N
• WGK Alemanha: 3
• Peso molecular: 187.22
• Reaxy-Rn: 2047881
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2047881&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzenesulfonamides
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzenesulfonamides
• Alternative Parents: Benzenesulfonyl compounds Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Organosulfonamides Aminosulfonyl compounds Organic oxides Organic nitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzenesulfonamide - Benzenesulfonyl group - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Organosulfonic acid amide - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Aminosulfonyl compound - Ether - Organic nitrogen compound - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organic oxide - Organic oxygen compound - Aromatic homomonocyclic compound
• Descrição: 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

Alvos associados (humanos)

CA2 Tclin Carbonic anhydrase II (17698 Activities)

Discover Target: CA2

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

APP Tclin Amyloid-beta A4 protein (8510 Activities)

Discover Target: APP

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

Alvos associados (não humanos)

Carbonic anhydrase (69 Activities)

Explore this target

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

Mecanismos de ação

Propriedades químicas e físicas

• Ponto de fusão (°C): 111-115°C
• Peso molecular: 187.220 g/mol
• XLogP3: 0.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 187.03 Da
• Monoisotopic Mass: 187.03 Da
• Topological Polar Surface Area: 77.800 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 224.000
• 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

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1129-26-6, the molecular formula is C7H9NO3S, and the molecular weight is 187.22 g/mol. InChIKey MSFQEZBRFPAFEX-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.