Cas no 453562-01-1 (1-Methyl-4-[(3-nitrophenyl)sulfonyl]piperazine)

1-Methyl-4-[(3-nitrophenyl)sulfonyl]piperazine structure
453562-01-1 structure
Product Name:1-Methyl-4-[(3-nitrophenyl)sulfonyl]piperazine
CAS No:453562-01-1
MF:C11H15N3O4S
MW:285.319501161575
CID:2120709
PubChem ID:2842418
Update Time:2025-04-21

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

Names and Identifiers

    • 1-Methyl-4-[(3-nitrophenyl)sulfonyl]piperazine
    • Piperazine, 1-methyl-4-[(3-nitrophenyl)sulfonyl]-
    • STK128936
    • CHEMBL1301440
    • SR-01000205742-1
    • SCHEMBL448170
    • 453562-01-1
    • 3-[(4-methylpiperazinyl)sulfonyl]-1-nitrobenzene
    • 1-Methyl-4-[(3-nitrophenyl)sulphonyl]piperazine
    • 1-methyl-4-(3-nitrophenyl)sulfonylpiperazine
    • AKOS003335825
    • SMR000185517
    • SR-01000205742
    • DB-301501
    • 1-Methyl-4-((3-nitrophenyl)sulfonyl)piperazine
    • 1-Methyl-4-[(3-nitrobenzene)sulfonyl]piperazine
    • HMS2431O20
    • 1-Methyl-4-(3-nitro-benzenesulfonyl)-piperazine
    • 3-[(4-methylpiperazinyl) sulfonyl]-1-nitrobenzene
    • MLS000577527
    • Inchi: 1S/C11H15N3O4S/c1-12-5-7-13(8-6-12)19(17,18)11-4-2-3-10(9-11)14(15)16/h2-4,9H,5-8H2,1H3
    • InChI Key: DIVBSLFLEUQVSP-UHFFFAOYSA-N
    • SMILES: S(C1C=CC=C(C=1)[N+](=O)[O-])(N1CCN(C)CC1)(=O)=O

Computed Properties

  • Exact Mass: 285.07832714Da
  • Monoisotopic Mass: 285.07832714Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 2
  • Complexity: 420
  • 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: 94.8?2
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