Cas no 69676-71-7 (Butanoic acid, 2-[[(4-methylphenyl)sulfonyl]amino]-)

Butanoic acid, 2-[[(4-methylphenyl)sulfonyl]amino]- structure
69676-71-7 structure
Product Name:Butanoic acid, 2-[[(4-methylphenyl)sulfonyl]amino]-
CAS No:69676-71-7
MF:C11H15NO4S
MW:257.30610203743
MDL:MFCD00720459
CID:391505
PubChem ID:3242104
Update Time:2025-04-19

Butanoic acid, 2-[[(4-methylphenyl)sulfonyl]amino]- Chemical and Physical Properties

Names and Identifiers

    • Butanoic acid, 2-[[(4-methylphenyl)sulfonyl]amino]-
    • 2-[(4-methylphenyl)sulfonylamino]butanoic acid
    • A1-04426
    • Oprea1_684456
    • MFCD00720459
    • MLS000095930
    • AKOS016051428
    • AKOS001585765
    • DTXSID80390537
    • Oprea1_042624
    • 69676-71-7
    • EN300-302697
    • CHEMBL1493598
    • 2-{[(4-methylphenyl)sulfonyl]amino}butanoic acid
    • 2-(toluene-4-sulfonylamino)-butyric acid
    • SR-01000579684
    • HMS2442A13
    • SMR000031478
    • 2-(Toluene-4-sulfonylamino)butyric acid
    • SCHEMBL3427026
    • 2-(4-methylbenzenesulfonamido)butanoic acid
    • SR-01000579684-1
    • MDL: MFCD00720459
    • Inchi: 1S/C11H15NO4S/c1-3-10(11(13)14)12-17(15,16)9-6-4-8(2)5-7-9/h4-7,10,12H,3H2,1-2H3,(H,13,14)
    • InChI Key: OCFPTFVQZWHPPH-UHFFFAOYSA-N
    • SMILES: S(C1C=CC(C)=CC=1)(NC(C(=O)O)CC)(=O)=O

Computed Properties

  • Exact Mass: 257.07225
  • Monoisotopic Mass: 257.07217913g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 5
  • Complexity: 352
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.8
  • Topological Polar Surface Area: 91.8?2

Experimental Properties

  • PSA: 83.47

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