Cas no 106111-15-3 (methyl 2-(4-chlorobenzenesulfonamido)acetate)

methyl 2-(4-chlorobenzenesulfonamido)acetate structure
106111-15-3 structure
Product Name:methyl 2-(4-chlorobenzenesulfonamido)acetate
CAS No:106111-15-3
MF:C9H10ClNO4S
MW:263.698000431061
CID:1172294
PubChem ID:686925
Update Time:2025-04-20

methyl 2-(4-chlorobenzenesulfonamido)acetate Chemical and Physical Properties

Names and Identifiers

    • Glycine, N-[(4-chlorophenyl)sulfonyl]-, methyl ester
    • N-[(4-chlorophenyl)sulfonyl]glycine methyl ester
    • methyl 2-(4-chlorobenzenesulfonamido)acetate
    • AKOS000605731
    • 106111-15-3
    • VU0608058-1
    • methyl 2-(4-chlorophenylsulfonamido)acetate
    • methyl 2-{[(4-chlorophenyl)sulfonyl]amino}acetate
    • methyl 2-[(4-chlorophenyl)sulfonylamino]acetate
    • F3263-0048
    • BRD-K08436541-001-01-7
    • methyl N-[(4-chlorophenyl)sulfonyl]glycinate
    • STL260655
    • Inchi: 1S/C9H10ClNO4S/c1-15-9(12)6-11-16(13,14)8-4-2-7(10)3-5-8/h2-5,11H,6H2,1H3
    • InChI Key: SYOQNYMPQNXLCA-UHFFFAOYSA-N
    • SMILES: ClC1C=CC(=CC=1)S(NCC(=O)OC)(=O)=O

Computed Properties

  • Exact Mass: 263.002
  • Monoisotopic Mass: 263.0019067g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 5
  • Complexity: 330
  • 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: 1.4
  • Topological Polar Surface Area: 80.8?2

Experimental Properties

  • PSA: 72.47
  • LogP: 2.26300

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