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CS-W001157 4
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4-Aminobenzene-1-sulfonyl fluoride

  • CAS No. 98-62-4

  • Cat. No. CS-0063889
  • Molecule weight175.18
  • Purity≥97%
  • MDL No.None

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

4-Aminobenzene-1-sulfonyl fluoride|CS-0063889

Structure of 98-62-4

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General Information

  • CAS No. 98-62-4
  • Cat. No. CS-0063889
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₆FNO₂S
  • Molecular Weight 175.18
  • Synonym(s) Sulfanilyl fluoride
  • SMILES O=S(C1=CC=C(N)C=C1)(F)=O

Description

4-Aminobenzene-1-sulfonyl fluoride is a bench-stable, moisture-tolerant reagent featuring a reactive sulfonyl fluoride group paired with an electron-rich para-amino substituent. This combination enables selective labeling of nucleophilic residues in proteins and facilitates the synthesis of sulfonamide-based probes for chemical biology applications.

Application

4-Aminobenzene-1-sulfonyl fluoride serves as a versatile sulfonylating agent in medicinal chemistry, enabling efficient introduction of sulfonamide moieties under mild conditions. Its bench-stable nature and compatibility with diverse functional groups facilitate straightforward incorporation into bioactive scaffolds, particularly in kinase inhibitor development and heterocyclic synthesis.

Synthesis

  • Route1

    References

    • Dansk Tidsskrift for Farmaci, , vol. 18, p. 201,206 US2436697 , ; US2437644 , ;
  • Route2

    References

    • Australian Journal of Chemistry, , vol. 6, p. 318
  • Route3
    • 4-Acetamidobenzene-1-sulfonyl fluoride|CS-0233517
      329-20-4
    • ~%
    • In-stock
      4-Aminobenzene-1-sulfonyl fluoride|CS-0063889
      98-62-4

    References

    • DE879550 , ;

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05,GHS07
Signal Word : Danger
UN#: 3261
Class : 8
Packing Group : Ⅱ
Hazard Statements : H302-H312-H314-H332
Precautionary Statements : P260-P261-P264-P270-P271-P280-P301+P330+P331-P302+P352-P304+P340-P330-P362+P364-P363-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   60.16
  • LogP   0.927
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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