4-Ethylbenzenesulfonamide - ≥98% , CAS No.138-38-5

CAS: 138-38-5 Cat. No.: E156419 分子式: C₈H₁₁NO₂S 分子量: 185.24 Beilstein Registry Number: 11(3)335 EC番号: 680-161-7

GRADE & PURITY ≥98%

Synonyms

Oprea1_472805 | Q27454748 | EN300-17620 | PS-8491 | CCG-355588 | Benzenesulfonamide, 4-ethyl- | 4JC | F0808-2053 | FT-0660058 | 4-Ethylbenzenesulphonamide | BDBM50415863 | Benzenesulfonamide, p-ethyl- | Oprea1_104205 | NSC9909 | NSC-9909 | Z57902253 | NCG

Storage

Room temperature

Shipped In

Normal

Specifications

同義語

Oprea1_472805 | Q27454748 | EN300-17620 | PS-8491 | CCG-355588 | Benzenesulfonamide, 4-ethyl- | 4JC | F0808-2053 | FT-0660058 | 4-Ethylbenzenesulphonamide | BDBM50415863 | Benzenesulfonamide, p-ethyl- | Oprea1_104205 | NSC9909 | NSC-9909 | Z57902253 | NCG

仕様と純度

≥98%

保管条件

Room temperature

入荷

Normal

純度

≥98%

名前と識別子

• パブケム・シド: 488188715
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/488188715
• カノニカル・スマイル: CCC1=CC=C(C=C1)S(=O)(=O)N
• IUPAC Name: 4-ethylbenzenesulfonamide
• InChIKey: MLTGAVXHWSDGIS-UHFFFAOYSA-N
• INCHI: 1S/C8H11NO2S/c1-2-7-3-5-8(6-4-7)12(9,10)11/h3-6H,2H2,1H3,(H2,9,10,11)
• 異性体SMILES: CCC1=CC=C(C=C1)S(=O)(=O)N
• 分子量: 185.24
• Beilstein: 11(3)335
• Reaxy-Rn: 2361875
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2361875&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Benzene and substituted derivatives
• Subclass: Benzenesulfonamides
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzenesulfonamides
• Alternative Parents: Benzenesulfonyl compounds Organosulfonamides Aminosulfonyl compounds Organic oxides Organic nitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 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 - Aromatic homomonocyclic compound
• 説明: 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

関連ターゲット（人間）

CA2 Tclin Carbonic anhydrase 2 (1 Activities)

Discover Target: CA2

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

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

関連ターゲット（非人間）

Carbonic anhydrase (69 Activities)

Explore this target

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

作用メカニズム

化学的性質と物理的性質

• 融点（°C）: 111 °C
• 分子量: 185.250 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 185.051 Da
• Monoisotopic Mass: 185.051 Da
• Topological Polar Surface Area: 68.500 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 222.000
• 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

参考文献

1. Yuhan Guo, Zhiguo Nie, Shan Zhong, Shimin Peng, Gang Wang, Zhipeng Zhang, Weiwei Meng, Yulan Huang, Bo Wu, Guichuan Xing, Mingzhu Long.  (2026)  Regulating Molecular Adsorption Configuration via Spatially Balanced Polarity for High-Performance Inverted Perovskite Solar Cells.  ADVANCED FUNCTIONAL MATERIALS,      [PMID:] [10.1002/adfm.77942]

よくある質問

What is the purity of this product?

This product is supplied at ≥98% 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 138-38-5, the molecular formula is C8H11NO2S, and the molecular weight is 185.24 g/mol. InChIKey MLTGAVXHWSDGIS-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.