[2-(2,6-difluoroanilino)-2-oxoethyl] 3-(diethylsulfamoyl)-4-fluorobenzoate

C19H19F3N2O5S — CID 2338052

IUPAC[2-(2,6-difluoroanilino)-2-oxoethyl] 3-(diethylsulfamoyl)-4-fluorobenzoate
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)OCC(=O)Nc2c(F)cccc2F)ccc1F
InChIInChI=1S/C19H19F3N2O5S/c1-3-24(4-2)30(27,28)16-10-12(8-9-13(16)20)19(26)29-11-17(25)23-18-14(21)6-5-7-15(18)22/h5-10H,3-4,11H2,1-2H3,(H,23,25)
InChIKeyMNYSXKXWGFLGNH-UHFFFAOYSA-N
MW444.43 g/mol
LogP2.93
Rot. Bonds8

About [2-(2,6-difluoroanilino)-2-oxoethyl] 3-(diethylsulfamoyl)-4-fluorobenzoate

[2-(2,6-difluoroanilino)-2-oxoethyl] 3-(diethylsulfamoyl)-4-fluorobenzoate (PubChem CID 2338052) has the molecular formula C19H19F3N2O5S and a molecular weight of 444.43 g/mol. Its IUPAC name is [2-(2,6-difluoroanilino)-2-oxoethyl] 3-(diethylsulfamoyl)-4-fluorobenzoate.

Molecular Properties

Compound Name[2-(2,6-difluoroanilino)-2-oxoethyl] 3-(diethylsulfamoyl)-4-fluorobenzoate
PubChem CID2338052
Molecular FormulaC19H19F3N2O5S
Molecular Weight444.43 g/mol
Exact Mass444.10
IUPAC Name[2-(2,6-difluoroanilino)-2-oxoethyl] 3-(diethylsulfamoyl)-4-fluorobenzoate
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)OCC(=O)Nc2c(F)cccc2F)ccc1F
InChIInChI=1S/C19H19F3N2O5S/c1-3-24(4-2)30(27,28)16-10-12(8-9-13(16)20)19(26)29-11-17(25)23-18-14(21)6-5-7-15(18)22/h5-10H,3-4,11H2,1-2H3,(H,23,25)
InChIKeyMNYSXKXWGFLGNH-UHFFFAOYSA-N
XLogP2.93
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.43
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(2,6-difluoroanilino)-2-oxoethyl] 3-(diethylsulfamoyl)-4-fluorobenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(Cyclopropylamino)-2-oxoethyl] 2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]benzoate
CID 2097465
[2-[(4-Fluorophenyl)methylamino]-2-oxoethyl] 4-fluoro-3-morpholin-4-ylsulfonylbenzoate
CID 2346486
[2-(Benzylamino)-2-oxoethyl] 4-fluoro-3-morpholin-4-ylsulfonylbenzoate
CID 2363961
Ethyl 4-({N-[(4-methylphenyl)methyl]4-acetamidobenzenesulfonamido}methyl)benzoate
CID 4182816
Ethyl 3-({[4-(acetylamino)phenyl]sulfonyl}amino)benzoate
CID 1346476
[2-(Dimethylamino)-2-oxoethyl] 3-[(4-chlorophenyl)-prop-2-enylsulfamoyl]benzoate
CID 2083980
[2-(Tert-butylcarbamoylamino)-2-oxoethyl] 3-[(3,4-difluorophenyl)sulfonylamino]benzoate
CID 2085343
(2-Morpholin-4-yl-2-oxoethyl) 4-[methyl(phenyl)sulfamoyl]benzoate
CID 2092477
[2-Oxo-2-(4-sulfamoylanilino)ethyl] 4-(dimethylamino)benzoate
CID 2102825
[2-Oxo-2-(propylcarbamoylamino)ethyl] 3-[(3,4-difluorophenyl)sulfonylamino]benzoate
CID 2114994
[2-(Carbamoylamino)-2-oxoethyl] 3-[prop-2-enyl-[3-(trifluoromethyl)phenyl]sulfamoyl]benzoate
CID 2116226
[2-Oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 3-(diethylsulfamoyl)benzoate
CID 2119081

Frequently Asked Questions

What is the IUPAC name of [2-(2,6-difluoroanilino)-2-oxoethyl] 3-(diethylsulfamoyl)-4-fluorobenzoate?
The IUPAC name of [2-(2,6-difluoroanilino)-2-oxoethyl] 3-(diethylsulfamoyl)-4-fluorobenzoate (CID 2338052) is [2-(2,6-difluoroanilino)-2-oxoethyl] 3-(diethylsulfamoyl)-4-fluorobenzoate.
What is the SMILES notation for [2-(2,6-difluoroanilino)-2-oxoethyl] 3-(diethylsulfamoyl)-4-fluorobenzoate?
The canonical SMILES for [2-(2,6-difluoroanilino)-2-oxoethyl] 3-(diethylsulfamoyl)-4-fluorobenzoate is CCN(CC)S(=O)(=O)c1cc(C(=O)OCC(=O)Nc2c(F)cccc2F)ccc1F.
What is the InChIKey of [2-(2,6-difluoroanilino)-2-oxoethyl] 3-(diethylsulfamoyl)-4-fluorobenzoate?
The InChIKey is MNYSXKXWGFLGNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O5S/c1-3-24(4-2)30(27,28)16-10-12(8-9-13(16)20)19(26)29-11-17(25)23-18-14(21)6-5-7-15(18)22/h5-10H,3-4,11H2,1-2H3,(H,23,25).
What are the key properties of [2-(2,6-difluoroanilino)-2-oxoethyl] 3-(diethylsulfamoyl)-4-fluorobenzoate?
[2-(2,6-difluoroanilino)-2-oxoethyl] 3-(diethylsulfamoyl)-4-fluorobenzoate has a molecular weight of 444.43 g/mol, XLogP of 2.93, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-difluoroanilino)-2-oxoethyl] 3-(diethylsulfamoyl)-4-fluorobenzoate is sourced from PubChem (CID 2338052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).