Cas no 380339-63-9 (3-[(4-methylpiperazin-1-yl)sulfonyl]benzoic acid)

3-[(4-methylpiperazin-1-yl)sulfonyl]benzoic acid structure
380339-63-9 structure
Product Name:3-[(4-methylpiperazin-1-yl)sulfonyl]benzoic acid
CAS No:380339-63-9
MF:C12H16N2O4S
MW:284.331441879272
MDL:MFCD02725037
CID:1056120
PubChem ID:1081456
Update Time:2025-04-20

3-[(4-methylpiperazin-1-yl)sulfonyl]benzoic acid Chemical and Physical Properties

Names and Identifiers

    • 3-((4-Methylpiperazin-1-yl)sulfonyl)benzoic acid
    • 3-(4-Methyl-1-piperazinylsulfonyl)benzoic Acid
    • 3-[(4-methyl-1-piperazinyl)sulfonyl]Benzoic acid
    • 3-bromo-1-methylpiperidine,hydrobromide
    • 3-[(4-methylpiperazin-1-yl)sulfonyl]benzoic acid
    • 3-(4-methylpiperazin-1-yl)sulfonylbenzoic Acid
    • EN300-00491
    • MFCD02725037
    • ALBB-029704
    • Oprea1_191879
    • DB-014523
    • AKOS000115015
    • AC6040
    • STL199161
    • SCHEMBL3824747
    • SMR000365480
    • 3-(4-Methyl-piperazine-1-sulfonyl)-benzoic acid
    • MLS000774756
    • CHEMBL1390113
    • Z53035343
    • VJVSNPXBBRHNRF-UHFFFAOYSA-N
    • Benzoic acid, 3-[(4-methyl-1-piperazinyl)sulfonyl]-
    • A873950
    • LS-10585
    • CS-0307449
    • SY005288
    • HMS2770O09
    • 380339-63-9
    • 3-((4-Methylpiperazin-1-yl)sulfonyl)benzoicacid
    • 3-(4-methylpiperazin-1-ylsulfonyl)benzoic acid
    • MDL： MFCD02725037
    • Inchi： 1S/C12H16N2O4S/c1-13-5-7-14(8-6-13)19(17,18)11-4-2-3-10(9-11)12(15)16/h2-4,9H,5-8H2,1H3,(H,15,16)
    • InChI Key： VJVSNPXBBRHNRF-UHFFFAOYSA-N
    • SMILES： S(C1C=CC=C(C(=O)O)C=1)(N1CCN(C)CC1)(=O)=O

Computed Properties

  • Exact Mass: 284.08318
  • Monoisotopic Mass: 284.08307817g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 3
  • Complexity: 424
  • 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: -1.9
  • Topological Polar Surface Area: 86.3?2

Experimental Properties

  • PSA: 77.92

3-[(4-methylpiperazin-1-yl)sulfonyl]benzoic acid Pricemore >>

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abcr
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