Cas no 5448-82-8 (Benzenesulfonic acid,4-(acetylamino)-, 2-[(3-nitrophenyl)methylene]hydrazide)

Benzenesulfonic acid,4-(acetylamino)-, 2-[(3-nitrophenyl)methylene]hydrazide structure
5448-82-8 structure
Product Name:Benzenesulfonic acid,4-(acetylamino)-, 2-[(3-nitrophenyl)methylene]hydrazide
CAS No:5448-82-8
MF:C15H14N4O5S
MW:362.360461711884
CID:384485
PubChem ID:5826116
Update Time:2025-04-19

Benzenesulfonic acid,4-(acetylamino)-, 2-[(3-nitrophenyl)methylene]hydrazide Chemical and Physical Properties

Names and Identifiers

    • Benzenesulfonic acid,4-(acetylamino)-, 2-[(3-nitrophenyl)methylene]hydrazide
    • AG-G-70905
    • N-[4-[[[(E)-3-(2-NITROPHENYL)PROP-2-ENYLIDENE]AMINO]SULFAMOYL]PHENYL]ACETAMIDE
    • N-acetyl-sulfanilic acid-(2-nitro-cinnamylidenehydrazide)
    • N-acetyl-sulfanilic acid-(3-nitro-benzylidenehydrazide)
    • N-Acetyl-sulfanilsaeure-(2-nitro-cinnamylidenhydrazid)
    • N-Acetyl-sulfanilsaeure-(2-nitro-trans-cinnamylidenhydrazid)
    • N-Acetyl-sulfanilsaeure-(3-nitro-benzylidenhydrazid)
    • NSC20802
    • NSC18086
    • NSC-18086
    • 5448-82-8
    • Inchi: 1S/C15H14N4O5S/c1-11(20)17-13-5-7-15(8-6-13)25(23,24)18-16-10-12-3-2-4-14(9-12)19(21)22/h2-10,18H,1H3,(H,17,20)/b16-10-
    • InChI Key: AGMKHRRKRQIKKJ-YBEGLDIGSA-N
    • SMILES: S(C1C=CC(=CC=1)NC(C)=O)(N/N=C\C1C=CC=C(C=1)[N+](=O)[O-])(=O)=O

Computed Properties

  • Exact Mass: 362.06862
  • Monoisotopic Mass: 362.06849073g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 25
  • Rotatable Bond Count: 5
  • Complexity: 602
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.5
  • Topological Polar Surface Area: 142?2

Experimental Properties

  • PSA: 130.77
  • LogP: 3.93350
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