Cas no 110654-66-5 (1-(3-Nitrophenyl)methanesulfonamide)

1-(3-Nitrophenyl)methanesulfonamide structure
110654-66-5 structure
Product Name:1-(3-Nitrophenyl)methanesulfonamide
CAS No:110654-66-5
MF:C7H8N2O4S
MW:216.214420318604
MDL:MFCD11212984
CID:1194688
PubChem ID:13266250
Update Time:2025-04-20

1-(3-Nitrophenyl)methanesulfonamide Chemical and Physical Properties

Names and Identifiers

    • Benzenemethanesulfonamide, 3-nitro-
    • 1-(3-Nitrophenyl)methanesulfonamide
    • 3-Nitrobenzylsulphonamide
    • (3-nitrophenyl)methanesulfonamide
    • ALBB-024732
    • MFCD11212984
    • meta-nitrobenzylsulfonamide
    • DB-315530
    • EN300-201320
    • G51015
    • AJBITZYPLDRBOE-UHFFFAOYSA-N
    • CS-0208481
    • Z385450928
    • SCHEMBL1169876
    • 110654-66-5
    • AKOS009343573
    • (3-nitrophenyl)-methane sulfonamide
    • MDL： MFCD11212984
    • Inchi： 1S/C7H8N2O4S/c8-14(12,13)5-6-2-1-3-7(4-6)9(10)11/h1-4H,5H2,(H2,8,12,13)
    • InChI Key： AJBITZYPLDRBOE-UHFFFAOYSA-N
    • SMILES： S(CC1C=CC=C(C=1)[N+](=O)[O-])(N)(=O)=O

Computed Properties

  • Exact Mass: 216.02054
  • Monoisotopic Mass: 216.02047791g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 303
  • 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: 0.6
  • Topological Polar Surface Area: 114?2

Experimental Properties

  • PSA: 103.3

1-(3-Nitrophenyl)methanesulfonamide Pricemore >>

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