Cas no 918810-49-8 (Benzoic acid, 3,5-bis[[(1,1-dimethylethyl)amino]sulfonyl]-, methyl ester)

Benzoic acid, 3,5-bis[[(1,1-dimethylethyl)amino]sulfonyl]-, methyl ester structure
918810-49-8 structure
Product Name:Benzoic acid, 3,5-bis[[(1,1-dimethylethyl)amino]sulfonyl]-, methyl ester
CAS No:918810-49-8
MF:C16H26N2O6S2
MW:406.51744222641
CID:770708
PubChem ID:58789229
Update Time:2025-04-19

Benzoic acid, 3,5-bis[[(1,1-dimethylethyl)amino]sulfonyl]-, methyl ester Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid, 3,5-bis[[(1,1-dimethylethyl)amino]sulfonyl]-, methyl ester
    • methyl 3,5-bis(tert-butylsulfamoyl)benzoate
    • 918810-49-8
    • DTXSID90730086
    • VRRVMCCADBXDBU-UHFFFAOYSA-N
    • 3,5-Bis-tert-butylsulfamoyl-benzoic acid methyl ester
    • SCHEMBL5003491
    • Inchi: 1S/C16H26N2O6S2/c1-15(2,3)17-25(20,21)12-8-11(14(19)24-7)9-13(10-12)26(22,23)18-16(4,5)6/h8-10,17-18H,1-7H3
    • InChI Key: VRRVMCCADBXDBU-UHFFFAOYSA-N
    • SMILES: S(C1C=C(C(=O)OC)C=C(C=1)S(NC(C)(C)C)(=O)=O)(NC(C)(C)C)(=O)=O

Computed Properties

  • Exact Mass: 406.12322890g/mol
  • Monoisotopic Mass: 406.12322890g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 26
  • Rotatable Bond Count: 8
  • Complexity: 652
  • 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: 1.7
  • Topological Polar Surface Area: 135?2

Benzoic acid, 3,5-bis[[(1,1-dimethylethyl)amino]sulfonyl]-, methyl ester Related Literature

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