Cas no 834869-20-4 (Benzoic acid, 3-[(ethylsulfonyl)amino]-, methyl ester)

Benzoic acid, 3-[(ethylsulfonyl)amino]-, methyl ester is a specialized organic compound featuring a benzoic acid core functionalized with an ethylsulfonylamino group at the 3-position and a methyl ester moiety. This structure imparts unique reactivity and solubility properties, making it valuable in synthetic chemistry applications, particularly as an intermediate in pharmaceutical and agrochemical synthesis. The ethylsulfonylamino group enhances electrophilic character, facilitating selective reactions, while the methyl ester improves stability and handling. Its well-defined molecular architecture allows for precise modifications, supporting the development of targeted derivatives. Suitable for controlled reactions, this compound offers consistent performance in research and industrial settings.
Benzoic acid, 3-[(ethylsulfonyl)amino]-, methyl ester structure
834869-20-4 structure
Product Name:Benzoic acid, 3-[(ethylsulfonyl)amino]-, methyl ester
CAS No:834869-20-4
MF:C10H13NO4S
MW:243.27952170372
CID:670984
PubChem ID:22774699
Update Time:2025-06-07

Benzoic acid, 3-[(ethylsulfonyl)amino]-, methyl ester Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid, 3-[(ethylsulfonyl)amino]-, methyl ester
    • methyl 3-(ethylsulfonylamino)benzoate
    • SCHEMBL4187307
    • METHYL 3-ETHANESULFONAMIDOBENZOATE
    • DTXSID40628363
    • Methyl 3-ethanesulphonylamino-benzoate
    • AKOS003980047
    • ILPYUEYDONWJJQ-UHFFFAOYSA-N
    • Methyl 3-[(ethanesulfonyl)amino]benzoate
    • 834869-20-4
    • Inchi： 1S/C10H13NO4S/c1-3-16(13,14)11-9-6-4-5-8(7-9)10(12)15-2/h4-7,11H,3H2,1-2H3
    • InChI Key： ILPYUEYDONWJJQ-UHFFFAOYSA-N
    • SMILES： S(CC)(NC1C=CC=C(C(=O)OC)C=1)(=O)=O

Computed Properties

  • Exact Mass: 243.05652907g/mol
  • Monoisotopic Mass: 243.05652907g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 5
  • Complexity: 333
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.6
  • Topological Polar Surface Area: 80.8?2

Benzoic acid, 3-[(ethylsulfonyl)amino]-, methyl ester Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
SHANG HAI HAO HONG Biomedical Technology Co., Ltd.
1743333-1g
Methyl 3-(ethylsulfonamido)benzoate
 834869-20-4 98%
1g
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