Cas no 5501-44-0 (Benzenesulfonamide, N-[5-(2-methoxyethoxy)-2-pyrimidinyl]-4-methyl-)

Benzenesulfonamide, N-[5-(2-methoxyethoxy)-2-pyrimidinyl]-4-methyl- structure
5501-44-0 structure
Product Name:Benzenesulfonamide, N-[5-(2-methoxyethoxy)-2-pyrimidinyl]-4-methyl-
CAS No:5501-44-0
MF:C14H17N3O4S
MW:323.367481946945
CID:353050
PubChem ID:71364350
Update Time:2025-04-19

Benzenesulfonamide, N-[5-(2-methoxyethoxy)-2-pyrimidinyl]-4-methyl- Chemical and Physical Properties

Names and Identifiers

    • Benzenesulfonamide, N-[5-(2-methoxyethoxy)-2-pyrimidinyl]-4-methyl-
    • N-[5-(2-methoxyethoxy)pyrimidin-2-yl]-4-methylbenzenesulfonamide
    • N-[5-(2-Methoxyethoxy)pyrimidin-2-yl]-4-methylbenzene-1-sulfonamide
    • N-(5-(2-Methoxyethoxy)pyrimidin-2-yl)-4-methylbenzenesulfonamide
    • DTXSID60787825
    • 5501-44-0
    • Inchi: 1S/C14H17N3O4S/c1-11-3-5-13(6-4-11)22(18,19)17-14-15-9-12(10-16-14)21-8-7-20-2/h3-6,9-10H,7-8H2,1-2H3,(H,15,16,17)
    • InChI Key: UGEIIMTYIJPYNU-UHFFFAOYSA-N
    • SMILES: S(C1C=CC(C)=CC=1)(NC1N=CC(=CN=1)OCCOC)(=O)=O

Computed Properties

  • Exact Mass: 323.09411
  • Monoisotopic Mass: 323.09397721g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 7
  • Complexity: 410
  • 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: 1.3
  • Topological Polar Surface Area: 98.8?2

Experimental Properties

  • PSA: 90.41
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