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CS-W001157 4
Total: USD 88.00

4-(Methylcarbamoyl)benzene-1-sulfonyl chloride

  • CAS No. 874622-79-4

  • Cat. No. CS-0151057
  • Purity≥98%
  • MDL No.MFCD07691322

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

4-(Methylcarbamoyl)benzene-1-sulfonyl chloride|CS-0151057

Structure of 874622-79-4

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General Information

  • CAS No. 874622-79-4
  • Cat. No. CS-0151057
  • Purity ≥98%
  • MDL No. MFCD07691322
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₈ClNO₃S
  • Molecular Weight 233.67
  • Synonym(s) None
  • SMILES CNC(=O)C1=CC=C(C=C1)S(=O)(=O)Cl

Description

4-(Methylcarbamoyl)benzene-1-sulfonyl chloride features a sulfonyl chloride group flanked by an electron-rich aromatic ring and a methylcarbamoyl substituent, enabling direct coupling with amines under mild conditions. This reactivity profile supports rapid incorporation into bioconjugates and functionalized scaffolds, particularly in the synthesis of targeted therapeutics and probe molecules.

Application

4-(Methylcarbamoyl)benzene-1-sulfonyl chloride serves as a versatile sulfonylating agent for the efficient introduction of a methylcarbamoyl-substituted benzene sulfonamide moiety. It facilitates amide bond formation under mild conditions, exhibits good bench stability, and enables straightforward purification due to its reactivity profile. Widely used in medicinal chemistry and API intermediate synthesis, it functions effectively in nucleophilic substitution reactions with amines and alcohols, offering high functional group tolerance and compatibility with standard synthetic workflows.

Safety Information

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GHS Pictogram :
GHS No : GHS05
Signal Word : Danger
UN#: 1759
Class : 8
Packing Group : Ⅲ
Hazard Statements : H314-H335
Precautionary Statements : P260-P264-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P363-P405-P501

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Computational Chemistry Data

  • TPSA   63.24
  • LogP   0.9737
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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