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

CAS: 138-38-5 Cat. No.: E156419 Formula: C₈H₁₁NO₂S Molecular Weight: 185.24 Beilstein Registry Number: 11(3)335 EC Number: 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

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

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488188715
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488188715
• Canonical Smiles: 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)
• Isomeric SMILES: CCC1=CC=C(C=C1)S(=O)(=O)N
• Molecular Weight: 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
    • 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: 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
• 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(Human)

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

Associated Targets(non-human)

Carbonic anhydrase (69 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

• x_melt_point_char: 111 °C
• Molecular Weight: 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

References

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]

Frequently Asked Questions

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.