[2-(2,4-difluoroanilino)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate

C19H20F2N2O5S — CID 2373388

IUPAC[2-(2,4-difluoroanilino)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2ccc(F)cc2F)cc1
InChIInChI=1S/C19H20F2N2O5S/c1-3-23(4-2)29(26,27)15-8-5-13(6-9-15)19(25)28-12-18(24)22-17-10-7-14(20)11-16(17)21/h5-11H,3-4,12H2,1-2H3,(H,22,24)
InChIKeyDVMLHNCPQMSQQP-UHFFFAOYSA-N
MW426.44 g/mol
LogP2.79
Rot. Bonds8

About [2-(2,4-difluoroanilino)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate

[2-(2,4-difluoroanilino)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate (PubChem CID 2373388) has the molecular formula C19H20F2N2O5S and a molecular weight of 426.44 g/mol. Its IUPAC name is [2-(2,4-difluoroanilino)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate.

Molecular Properties

Compound Name[2-(2,4-difluoroanilino)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate
PubChem CID2373388
Molecular FormulaC19H20F2N2O5S
Molecular Weight426.44 g/mol
Exact Mass426.11
IUPAC Name[2-(2,4-difluoroanilino)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2ccc(F)cc2F)cc1
InChIInChI=1S/C19H20F2N2O5S/c1-3-23(4-2)29(26,27)15-8-5-13(6-9-15)19(25)28-12-18(24)22-17-10-7-14(20)11-16(17)21/h5-11H,3-4,12H2,1-2H3,(H,22,24)
InChIKeyDVMLHNCPQMSQQP-UHFFFAOYSA-N
XLogP2.79
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.44
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2,4-difluoroanilino)-2-oxoethyl] 4-(ethylsulfamoyl)benzoate
CID 7828167
[2-(2-fluoro-5-nitroanilino)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate
CID 2557753
[2-oxo-2-(2,3,4,5,6-pentafluoroanilino)ethyl] 4-(diethylsulfamoyl)benzoate
CID 2557746
[2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 2-chloro-5-(diethylsulfamoyl)benzoate
CID 2465525
[2-(2,4-difluoroanilino)-2-oxoethyl] 4-ethoxybenzoate
CID 2356763
[2-[5-(diethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 4-methylbenzoate
CID 7971596
[2-(2-chloroanilino)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate
CID 2557633
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-(diethylsulfamoyl)benzoate
CID 2557279
[2-(2,5-difluoroanilino)-2-oxoethyl] 4-[ethyl(phenyl)sulfamoyl]benzoate
CID 2587626
[2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 4-chloro-3-(diethylsulfamoyl)benzoate
CID 2510780
(2-anilino-2-oxoethyl) 4-(diethylsulfamoyl)benzoate
CID 2557673
[2-(4-acetamidoanilino)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate
CID 55314654

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-difluoroanilino)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate?
The IUPAC name of [2-(2,4-difluoroanilino)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate (CID 2373388) is [2-(2,4-difluoroanilino)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate.
What is the SMILES notation for [2-(2,4-difluoroanilino)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate?
The canonical SMILES for [2-(2,4-difluoroanilino)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate is CCN(CC)S(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2ccc(F)cc2F)cc1.
What is the InChIKey of [2-(2,4-difluoroanilino)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate?
The InChIKey is DVMLHNCPQMSQQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2O5S/c1-3-23(4-2)29(26,27)15-8-5-13(6-9-15)19(25)28-12-18(24)22-17-10-7-14(20)11-16(17)21/h5-11H,3-4,12H2,1-2H3,(H,22,24).
What are the key properties of [2-(2,4-difluoroanilino)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate?
[2-(2,4-difluoroanilino)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate has a molecular weight of 426.44 g/mol, XLogP of 2.79, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-difluoroanilino)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate is sourced from PubChem (CID 2373388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).