Cas no 52183-59-2 (4-[2-(4-aminophenyl)sulfonylethylsulfonyl]aniline)

4-[2-(4-aminophenyl)sulfonylethylsulfonyl]aniline structure
52183-59-2 structure
Product Name:4-[2-(4-aminophenyl)sulfonylethylsulfonyl]aniline
CAS No:52183-59-2
MF:C14H16N2O4S2
MW:340.417840957642
CID:1576352
PubChem ID:257560
Update Time:2025-04-21

4-[2-(4-aminophenyl)sulfonylethylsulfonyl]aniline Chemical and Physical Properties

Names and Identifiers

    • 4-[2-(4-aminophenyl)sulfonylethylsulfonyl]aniline
    • 4,4'-(ethane-1,2-diyldisulfonyl)dianiline
    • NSC85668
    • AC1Q6UEG
    • AC1L5X1E
    • CTK4J5538
    • AR-1F7446
    • NSC-85668
    • AG-J-51682
    • 4,4'-(ethane-1,2-diyldisulfonyl)dianiline; NSC85668; AC1Q6UEG; AC1L5X1E; CTK4J5538; AR-1F7446; NSC-85668; AG-J-51682;
    • DTXSID90292811
    • 52183-59-2
    • Inchi: 1S/C14H16N2O4S2/c15-11-1-5-13(6-2-11)21(17,18)9-10-22(19,20)14-7-3-12(16)4-8-14/h1-8H,9-10,15-16H2
    • InChI Key: IKPXLKVSMMAKSV-UHFFFAOYSA-N
    • SMILES: S(C1C=CC(=CC=1)N)(CCS(C1C=CC(=CC=1)N)(=O)=O)(=O)=O

Computed Properties

  • Exact Mass: 340.05528
  • Monoisotopic Mass: 340.05514934g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 5
  • Complexity: 495
  • 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: 0.7
  • Topological Polar Surface Area: 137?2

Experimental Properties

  • PSA: 120.32
  • LogP: 4.42260
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