Methyl 3-(2,6-difluorophenylsulfonamido)-2-fluorobenzoate

Name: Methyl 3-(2,6-difluorophenylsulfonamido)-2-fluorobenzoate
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CAS No. 1195768-19-4
Cat. No. CS-0150888
Purity≥98%
MDL No.MFCD18447698

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
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Methyl 3-(2,6-difluorophenylsulfonamido)-2-fluorobenzoate|CS-0150888

Structure of 1195768-19-4

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General Information

CAS No. 1195768-19-4
Cat. No. CS-0150888
Purity ≥98%
MDL No. MFCD18447698
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₄H₁₀F₃NO₄S
Molecular Weight 345.29
Synonym(s) Methyl 3-{[(2,6-difluoropheyl)sulfonyl]amino}-2-fluorabenzoate
SMILES COC(=O)C1=C(C(=CC=C1)NS(=O)(=O)C2=C(C=CC=C2F)F)F

Description

Methyl 3-(2,6-difluorophenylsulfonamido)-2-fluorobenzoate features a sterically hindered difluorophenylsulfonamide group paired with an electron-deficient fluorinated benzoate ester. This combination enhances metabolic stability and modulates lipophilicity, making it suitable for medicinal chemistry applications requiring precise pharmacokinetic tuning.

Application

Methyl 3-(2,6-difluorophenylsulfonamido)-2-fluorobenzoate serves as a versatile building block in medicinal chemistry, enabling the construction of sulfonamide-containing heterocycles and bioactive scaffolds. The molecule exhibits robust bench stability, facilitates straightforward purification, and tolerates a range of functional groups. Its fluorinated aryl motifs enhance metabolic stability and modulate electronic properties, making it well-suited for drug discovery campaigns targeting kinase inhibitors and CNS-active compounds.

Synthesis

Route1
- 1042055-86-6
- ~%
- In-stock
  
  1195768-19-4
References
- Rheault, Tara R.; Stellwagen, John C.; Adjabeng, George M.; Hornberger, Keith R.; Petrov, Kimberly G.; Waterson, Alex G.; Dickerson, Scott H.; Mook, Robert A.; Laquerre, Sylvie G.; King, Alastair J.; Rossanese, Olivia W.; Arnone, Marc R.; Smitheman, Kimberly N.; Kane-Carson, Laurie S.; Han, Chao; Moorthy, Ganesh S.; Moss, Katherine G.; Uehling, David E. ACS Medicinal Chemistry Letters, 2013 , vol. 4, # 3 p. 358 - 362

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 72.47
LogP 2.6913
H_Acceptors 4
H_Donors 1
Rotatable_Bonds 4

Other Classifications

Building Blocks Functional Group Sulfonamide

Building Blocks Functional Group Ester

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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Methyl 3-(2,6-difluorophenylsulfonamido)-2-fluorobenzoate

CAS No. 1195768-19-4

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