Cas no 61953-39-7 (5-(diethylsulfamoyl)-2-fluorobenzoic acid)

5-(diethylsulfamoyl)-2-fluorobenzoic acid structure
61953-39-7 structure
Product Name:5-(diethylsulfamoyl)-2-fluorobenzoic acid
CAS No:61953-39-7
MF:C11H14FNO4S
MW:275.296565532684
CID:1632294
PubChem ID:773056
Update Time:2025-04-21

5-(diethylsulfamoyl)-2-fluorobenzoic acid Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid, 5-[(diethylamino)sulfonyl]-2-fluoro-
    • 5-(diethylsulfamoyl)-2-fluorobenzoic acid
    • 61953-39-7
    • SR-01000575199
    • MFCD02937018
    • 5-(N,N-Diethylsulfamoyl)-2-fluorobenzoicacid
    • AKOS001042042
    • EN300-10409
    • SR-01000575199-1
    • SB81959
    • CS-0230466
    • 5-(N,N-Diethylsulfamoyl)-2-fluorobenzoic acid
    • ALBB-020205
    • Oprea1_494933
    • 5-[(diethylamino)sulfonyl]-2-fluorobenzoic acid
    • G35550
    • Z53036659
    • Inchi： 1S/C11H14FNO4S/c1-3-13(4-2)18(16,17)8-5-6-10(12)9(7-8)11(14)15/h5-7H,3-4H2,1-2H3,(H,14,15)
    • InChI Key： YJYUHOQWDKTBSD-UHFFFAOYSA-N
    • SMILES： S(C1C=CC(=C(C(=O)O)C=1)F)(N(CC)CC)(=O)=O

Computed Properties

  • Exact Mass: 275.06282
  • Monoisotopic Mass: 275.063
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 5
  • Complexity: 388
  • 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: 1.4
  • Topological Polar Surface Area: 83.1?2

Experimental Properties

  • PSA: 74.68

5-(diethylsulfamoyl)-2-fluorobenzoic acid Pricemore >>

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Enamine
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1PlusChem
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