Benzoic acid, 5-[(dimethylamino)sulfonyl]-2-fluoro-


Chemical Name: Benzoic acid, 5-[(dimethylamino)sulfonyl]-2-fluoro-
CAS Number: 91103-94-5
Product Number: AG00IGHH(AGN-PC-0KH6XN)
Synonyms:
MDL No:
Molecular Formula: C9H10FNO4S
Molecular Weight: 247.2434

Identification/Properties


Computed Properties
Molecular Weight:
247.24g/mol
XLogP3:
0.7
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
3
Exact Mass:
247.031g/mol
Monoisotopic Mass:
247.031g/mol
Topological Polar Surface Area:
83.1A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
362
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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Chemical Structure



5-(N,N-Dimethylsulfamoyl)-2-fluorobenzoic acid is a versatile chemical compound commonly utilized in chemical synthesis processes for its unique properties and reactions. With its specific molecular structure, this compound serves as a valuable building block in the creation of various pharmaceuticals, agrochemicals, and other complex organic molecules.In chemical synthesis, 5-(N,N-Dimethylsulfamoyl)-2-fluorobenzoic acid acts as a key intermediate for introducing functional groups and modifying molecular structures. Its sulfamoyl and fluorobenzoic acid moieties enable precise manipulation of chemical reactions, leading to the formation of desired products with specific properties.Due to its high reactivity and compatibility with a wide range of reagents and reaction conditions, this compound plays a crucial role in the synthesis of bioactive compounds, such as drugs and advanced materials. Researchers and chemists often rely on the versatility of 5-(N,N-Dimethylsulfamoyl)-2-fluorobenzoic acid to streamline synthetic pathways and optimize the efficiency of complex chemical transformations.