Cas no 80303-91-9 (1,4-bis[(3-nitrophenyl)sulfonyl]piperazine)

1,4-bis[(3-nitrophenyl)sulfonyl]piperazine structure
80303-91-9 structure
Product Name:1,4-bis[(3-nitrophenyl)sulfonyl]piperazine
CAS No:80303-91-9
MF:C16H16N4O8S2
MW:456.450241088867
CID:1800768
PubChem ID:259480
Update Time:2025-04-21

1,4-bis[(3-nitrophenyl)sulfonyl]piperazine Chemical and Physical Properties

Names and Identifiers

    • 1,4-bis[(3-nitrophenyl)sulfonyl]piperazine
    • 1,4-Bis-(3-nitrobenzolsulfonyl)-piperazin
    • AC1L616Y
    • NSC89445
    • 1,4-Bis-(3-nitro-benzolsulfonyl)-piperazin
    • piperazine, 1,4-bis[(3-nitrophenyl)sulfonyl]-
    • AC1Q6TQS
    • CTK5E7670
    • N,N'-Bis-(3-nitrobenzolsulfonyl)-piperazin
    • AR-1L1043
    • 1,4-bis-(3-nitro-benzenesulfonyl)-piperazine
    • AKOS001711721
    • NSC-89445
    • DTXSID10293426
    • 80303-91-9
    • STK747333
    • Inchi: 1S/C16H16N4O8S2/c21-19(22)13-3-1-5-15(11-13)29(25,26)17-7-9-18(10-8-17)30(27,28)16-6-2-4-14(12-16)20(23)24/h1-6,11-12H,7-10H2
    • InChI Key: BNRSIRFDVAGMLK-UHFFFAOYSA-N
    • SMILES: S(C1C=CC=C(C=1)[N+](=O)[O-])(N1CCN(CC1)S(C1C=CC=C(C=1)[N+](=O)[O-])(=O)=O)(=O)=O

Computed Properties

  • Exact Mass: 456.04095583g/mol
  • Monoisotopic Mass: 456.04095583g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 10
  • Heavy Atom Count: 30
  • Rotatable Bond Count: 4
  • Complexity: 776
  • 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: 183?2
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