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Brc1cnc(nc1)C
Pyrimidine, 5-bromo-2-methyl-
CCCP1(=O)OP(=O)(CCC)OP(=O)(O1)CCC
1,3,5,2,4,6-Trioxatriphosphorinane, 2,4,6-tripropyl-, 2,4,6-trioxide
CC1(C)OB(OC1(C)C)B1OC(C(O1)(C)C)(C)C
2,2'-Bi-1,3,2-dioxaborolane, 4,4,4',4',5,5,5',5'-octamethyl-
O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.[Pd].[Pd]
Tris(dibenzylideneacetone)dipalladium
C1CCC(CC1)P(C1CCCCC1)C1CCCCC1.Cc1cc(C)c(c(c1)C)N1CCN(C1=[Ru](=Cc1ccccc1)(Cl)Cl)c1c(C)cc(cc1C)C
Ruthenium,[1,3-bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene]dichloro(phenylmethylene)(tricyclohexylphosphine)-, (SP-5-41)-

Benzoic acid, 2-(aminosulfonyl)-4-iodo-, methyl ester

COC(=O)c1ccc(cc1S(=O)(=O)N)I Request for Quotation
Chemical Name: Benzoic acid, 2-(aminosulfonyl)-4-iodo-, methyl ester
CAS Number: 144550-79-8
Product Number: AG001JQP(AGN-PC-0NDBG9)
Synonyms:
MDL No:
Molecular Formula: C8H8INO4S
Molecular Weight: 341.1229

Identification/Properties

Properties
Storage:
2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
341.119g/mol
XLogP3:
1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
3
Exact Mass:
340.922g/mol
Monoisotopic Mass:
340.922g/mol
Topological Polar Surface Area:
94.8A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
337
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

Safety Information

GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum

Other Analytical Data

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Chemical Structure


2-(Aminosulfonyl)-4-iodobenzoic acid methyl ester is a versatile compound widely used in chemical synthesis processes. This compound serves as a crucial building block in the development of pharmaceuticals, agrochemicals, and materials science. Its unique structure enables it to participate in various organic reactions, making it a valuable tool in the hands of synthetic chemists.One of the key applications of 2-(Aminosulfonyl)-4-iodobenzoic acid methyl ester is its role as a precursor in the synthesis of bioactive compounds. By utilizing the functional groups present in this compound, chemists can introduce specific functionalities into the target molecules, thereby modulating their biological activity. This compound's presence can also impart desired properties such as increased solubility, stability, or binding affinity to the final products.Moreover, 2-(Aminosulfonyl)-4-iodobenzoic acid methyl ester can be employed in transition metal-catalyzed cross-coupling reactions, enabling the formation of complex molecular structures efficiently. This compound's ability to undergo selective transformations allows chemists to access diverse chemical space and create novel molecules with potential applications in drug discovery and material science.Overall, the use of 2-(Aminosulfonyl)-4-iodobenzoic acid methyl ester in chemical synthesis opens up vast possibilities for designing and synthesizing valuable compounds with tailored properties and functionalities.