Cas no 657427-16-2 (Benzenesulfonamide, N,N-bis(2-hydroxyethyl)-2-nitro-)

Benzenesulfonamide, N,N-bis(2-hydroxyethyl)-2-nitro- structure
657427-16-2 structure
Product Name:Benzenesulfonamide, N,N-bis(2-hydroxyethyl)-2-nitro-
CAS No:657427-16-2
MF:C10H14N2O6S
MW:290.292961597443
CID:1691393
PubChem ID:60723400
Update Time:2025-04-21

Benzenesulfonamide, N,N-bis(2-hydroxyethyl)-2-nitro- Chemical and Physical Properties

Names and Identifiers

    • Benzenesulfonamide, N,N-bis(2-hydroxyethyl)-2-nitro-
    • N,N-Bis-(2-hydroxy-ethyl)-2-nitrobenzenesulfonamide
    • DB-298539
    • PVWUQTNZPUJCQJ-UHFFFAOYSA-N
    • AKOS009144420
    • 657427-16-2
    • SCHEMBL231935
    • Inchi: 1S/C10H14N2O6S/c13-7-5-11(6-8-14)19(17,18)10-4-2-1-3-9(10)12(15)16/h1-4,13-14H,5-8H2
    • InChI Key: PVWUQTNZPUJCQJ-UHFFFAOYSA-N
    • SMILES: S(C1C=CC=CC=1[N+](=O)[O-])(N(CCO)CCO)(=O)=O

Computed Properties

  • Exact Mass: 290.05732
  • Monoisotopic Mass: 290.05725734g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 6
  • Complexity: 382
  • 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: -0.4
  • Topological Polar Surface Area: 132?2

Experimental Properties

  • PSA: 120.98
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