Cas no 135529-16-7 (N-(4-Aminobenzenesulfonyl) Sulfamethoxazole)

N-(4-Aminobenzenesulfonyl) Sulfamethoxazole structure
135529-16-7 structure
Product Name:N-(4-Aminobenzenesulfonyl) Sulfamethoxazole
CAS No:135529-16-7
MF:C16H16N4O5S2
MW:408.452040672302
CID:1059740
PubChem ID:71313144
Update Time:2025-04-20

N-(4-Aminobenzenesulfonyl) Sulfamethoxazole Chemical and Physical Properties

Names and Identifiers

    • N-(4-Aminobenzenesulfonyl) Sulfamethoxazole
    • 4-amino-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzenesulfonamide
    • 4-Amino-N-{4-[N-(5-methylisoxazol-3-yl)sulfamoyl]phenyl}benzenesulfonamide
    • 4-amino-N-(4-(N-(5-methylisoxazol-3-yl)sulfamoyl)phenyl)benzenesulfonamide
    • Sulfamethoxazole Imp. B (EP): 4-[[(4-Aminophenyl)sulphonyl]-amino]-N-(5-methylisoxazol-3-yl)benzene-sulphonamide
    • BCP26093
    • Sulfamethoxazole impurity B [EP]
    • J-006713
    • DTXSID10746982
    • 4-(4-AMINOBENZENESULFONAMIDO)-N-(5-METHYL-1,2-OXAZOL-3-YL)BENZENESULFONAMIDE
    • 135529-16-7
    • 4-Amino-N-{4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl}benzene-1-sulfonamide
    • SULFAMETHOXAZOLE IMPURITY B [EP IMPURITY]
    • 4-amino-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulamoyl]phenyl]benzenesulonamide
    • 4-[[(4-Aminophenyl)sulphonyl]amino]-N-(5-methylisoxazol-3-yl)benzenesulphonamide
    • Sulfamethoxazole Imp. B (EP); Sulfamethoxazole USP Related Compound B; Sulfamethoxazole USP RC B; 4-[[(4-Aminophenyl)sulphonyl]amino]-N-(5-methylisoxazol-3-yl)benzenesulphonamide; Sulfamethoxazole Related Compound B; Sulfamethoxazole Impurity B
    • Sulfamethoxazole EP Impurity B
    • N-(4-Aminobenzenesulfonyl)Sulfamethoxazole-d4
    • CHEBI:201567
    • Benzenesulfonamide, 4-amino-N-(4-(((5-methyl-3-isoxazolyl)amino)sulfonyl)phenyl)-
    • NDN5YJ3AJ5
    • 4-(((4-Aminophenyl)sulfonyl)amino)-N-(5-methylisoxazol-3-yl)benzenesulfonamide
    • UNII-NDN5YJ3AJ5
    • G79319
    • Inchi: 1S/C16H16N4O5S2/c1-11-10-16(18-25-11)20-27(23,24)15-8-4-13(5-9-15)19-26(21,22)14-6-2-12(17)3-7-14/h2-10,19H,17H2,1H3,(H,18,20)
    • InChI Key: ULRBBWWPWOJYFE-UHFFFAOYSA-N
    • SMILES: S(C1C=CC(=CC=1)N)(NC1C=CC(=CC=1)S(NC1C=C(C)ON=1)(=O)=O)(=O)=O

Computed Properties

  • Exact Mass: 408.05600
  • Monoisotopic Mass: 408.05621197g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 9
  • Heavy Atom Count: 27
  • Rotatable Bond Count: 6
  • Complexity: 687
  • 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: 161?2

Experimental Properties

  • Density: 1.557±0.06 g/cm3 (20 oC 760 Torr),
  • Boiling Point: 659.4±65.0 °C at 760 mmHg
  • Flash Point: 352.6±34.3 °C
  • Solubility: Insuluble (4.5E-3 g/L) (25 oC),
  • PSA: 161.15000
  • LogP: 5.05560
  • Vapor Pressure: 0.0±2.0 mmHg at 25°C

N-(4-Aminobenzenesulfonyl) Sulfamethoxazole Security Information

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