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3-[(Phenylsulfonyl)amino]benzoic acid

  • CAS No. 28547-15-1

  • Cat. No. CS-0206745
  • Molecule weight277.30
  • Purity≥98%
  • MDL No.MFCD00531524

*For research and further manufacturing use only, not for direct human use.

3-[(Phenylsulfonyl)amino]benzoic acid|CS-0206745

Structure of 28547-15-1

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General Information

  • CAS No. 28547-15-1
  • Cat. No. CS-0206745
  • Purity ≥98%
  • MDL No. MFCD00531524
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₁NO₄S
  • Molecular Weight 277.30
  • Synonym(s) 3-BENZENESULFONYLAMINOBENZOIC ACID
  • SMILES C1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C(=O)O

Synthesis

  • Route1
    • Methyl 3-benzenesulfonamidobenzoate|CS-0161135
      107922-46-3
    • ~%
    • 3-[(Phenylsulfonyl)amino]benzoic acid|CS-0206745
      28547-15-1

    References

    • GLAXOSMITHKLINE LLC; LAFRANCE, Louis, Vincent; LEBER, Jack, Dale; LI, Mei; VERMA, Sharad, Kumar Patent: WO2010/126922 A1, 2010 ; Location in patent: Page/Page column 26-27 ; WO 2010/126922 A1
  • Route2

    References

    • 3-Dimensional Pharmaceuticals, Inc. Patent: US5741819 A1, 1998 ;
  • Route3

    References

    • Nandi, M. M.; Debnath, P. Indian Journal of Chemistry, Section A: Inorganic, Physical, Theoretical & Analytical, 1987 , vol. 26, # 6 p. 498 - 501

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   83.47
  • LogP   2.1856
  • H_Acceptors   3
  • H_Donors   2
  • Rotatable_Bonds   4

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