Methyl 4-{[(2,4-dimethoxybenzyl)(1,3-thiazol-2-yl)amino]sulfonyl}-2-fluorobenzoate

HCID 57732244

Basic information

CAS
1063733-19-6
Standard SMILES
COC(=O)c1ccc(S(=O)(=O)N(Cc2ccc(OC)cc2OC)c2nccs2)cc1F
InChIKey
ILFZTDMWCSAMNT-UHFFFAOYSA-N
Molecular formula
C20H19FN2O6S2
Average molar mass
466.5 g/mol
Monoisotopic mass
466.06685655

Names & identifiers

Preferred name
Methyl 4-{[(2,4-dimethoxybenzyl)(1,3-thiazol-2-yl)amino]sulfonyl}-2-fluorobenzoate
IUPAC
methyl 4-[(2,4-dimethoxyphenyl)methyl-(1,3-thiazol-2-yl)sulfamoyl]-2-fluorobenzoate

Names & synonyms

SCHEMBL3123476ILFZTDMWCSAMNT-UHFFFAOYSA-NDTXSID001129429Methyl 4-{[(2,4-dimethoxybenzyl)(1,3-thiazol-2-yl)amino]sulfonyl}-2-fluorobenzoate1063733-19-6Methyl 4-[[[(2,4-dimethoxyphenyl)methyl]-2-thiazolylamino]sulfonyl]-2-fluorobenzoateMethyl 4-{[(2,4-dimethoxyphenyl)methyl](1,3-thiazol-2-yl)sulfamoyl}-2-fluorobenzoate

Database identifiers

CAS
1063733-19-6
PubChem CID
57732244
DTXSID
DTXSID001129429

Properties

Computed structural properties

XLogP
3.4
Topological polar surface area
132 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
10
Rotatable bonds
9
Heavy atoms
31

Related reactions

5 records

Compound notes

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