methyl 2,3-difluoro-4-[2-(methylsulfamoyl)ethylamino]benzoate

C11H14F2N2O4S — CID 106337575

IUPACmethyl 2,3-difluoro-4-[2-(methylsulfamoyl)ethylamino]benzoate
SMILESCNS(=O)(=O)CCNc1ccc(C(=O)OC)c(F)c1F
InChIInChI=1S/C11H14F2N2O4S/c1-14-20(17,18)6-5-15-8-4-3-7(11(16)19-2)9(12)10(8)13/h3-4,14-15H,5-6H2,1-2H3
InChIKeyFSWGIISLZPEGBB-UHFFFAOYSA-N
MW308.31 g/mol
LogP0.71
Rot. Bonds6

About methyl 2,3-difluoro-4-[2-(methylsulfamoyl)ethylamino]benzoate

methyl 2,3-difluoro-4-[2-(methylsulfamoyl)ethylamino]benzoate (PubChem CID 106337575) has the molecular formula C11H14F2N2O4S and a molecular weight of 308.31 g/mol. Its IUPAC name is methyl 2,3-difluoro-4-[2-(methylsulfamoyl)ethylamino]benzoate.

Molecular Properties

Compound Namemethyl 2,3-difluoro-4-[2-(methylsulfamoyl)ethylamino]benzoate
PubChem CID106337575
Molecular FormulaC11H14F2N2O4S
Molecular Weight308.31 g/mol
Exact Mass308.06
IUPAC Namemethyl 2,3-difluoro-4-[2-(methylsulfamoyl)ethylamino]benzoate
SMILESCNS(=O)(=O)CCNc1ccc(C(=O)OC)c(F)c1F
InChIInChI=1S/C11H14F2N2O4S/c1-14-20(17,18)6-5-15-8-4-3-7(11(16)19-2)9(12)10(8)13/h3-4,14-15H,5-6H2,1-2H3
InChIKeyFSWGIISLZPEGBB-UHFFFAOYSA-N
XLogP0.71
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.31
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-amino-2-[2-(methylsulfamoyl)ethylamino]benzoate
CID 106341902
methyl 2,3-difluoro-4-(5-methylhexylamino)benzoate
CID 115326260
methyl 2,3-difluoro-4-(2-propan-2-yloxyethylamino)benzoate
CID 104762460
methyl 4-(2-carbamoyloxyethylamino)-2,3-difluorobenzoate
CID 83205058
methyl 2,3-difluoro-4-[(2-methyl-2-methylsulfonylpropyl)amino]benzoate
CID 79835114
methyl 2,3-difluoro-4-[(5-hydroxy-4-methylpentyl)amino]benzoate
CID 106162114
methyl 2,3-difluoro-4-[2-[2-methoxyethyl(methyl)amino]ethylamino]benzoate
CID 79834893
2-(4-cyano-2,3-difluoroanilino)-N-methylethanesulfonamide
CID 114175359
methyl 2,3-difluoro-4-[[2-oxo-2-(propylamino)ethyl]amino]benzoate
CID 79838074
methyl 4-(2-but-3-enoxyethylamino)-2,3-difluorobenzoate
CID 106404797
methyl 2,3-difluoro-4-(2-pyridin-2-ylethylamino)benzoate
CID 79834307
methyl 2,3-difluoro-4-[(3-methoxy-2-methylpropyl)amino]benzoate
CID 79838382

Frequently Asked Questions

What is the IUPAC name of methyl 2,3-difluoro-4-[2-(methylsulfamoyl)ethylamino]benzoate?
The IUPAC name of methyl 2,3-difluoro-4-[2-(methylsulfamoyl)ethylamino]benzoate (CID 106337575) is methyl 2,3-difluoro-4-[2-(methylsulfamoyl)ethylamino]benzoate.
What is the SMILES notation for methyl 2,3-difluoro-4-[2-(methylsulfamoyl)ethylamino]benzoate?
The canonical SMILES for methyl 2,3-difluoro-4-[2-(methylsulfamoyl)ethylamino]benzoate is CNS(=O)(=O)CCNc1ccc(C(=O)OC)c(F)c1F.
What is the InChIKey of methyl 2,3-difluoro-4-[2-(methylsulfamoyl)ethylamino]benzoate?
The InChIKey is FSWGIISLZPEGBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O4S/c1-14-20(17,18)6-5-15-8-4-3-7(11(16)19-2)9(12)10(8)13/h3-4,14-15H,5-6H2,1-2H3.
What are the key properties of methyl 2,3-difluoro-4-[2-(methylsulfamoyl)ethylamino]benzoate?
methyl 2,3-difluoro-4-[2-(methylsulfamoyl)ethylamino]benzoate has a molecular weight of 308.31 g/mol, XLogP of 0.71, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,3-difluoro-4-[2-(methylsulfamoyl)ethylamino]benzoate is sourced from PubChem (CID 106337575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).