[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate

C18H18F2N2O6S — CID 2079165

IUPAC[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2ccccc2OC(F)F)cc1
InChIInChI=1S/C18H18F2N2O6S/c1-22(2)29(25,26)13-9-7-12(8-10-13)17(24)27-11-16(23)21-14-5-3-4-6-15(14)28-18(19)20/h3-10,18H,11H2,1-2H3,(H,21,23)
InChIKeyZCPXAJAPPVENCW-UHFFFAOYSA-N
MW428.41 g/mol
LogP2.33
Rot. Bonds8

About [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate

[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate (PubChem CID 2079165) has the molecular formula C18H18F2N2O6S and a molecular weight of 428.41 g/mol. Its IUPAC name is [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate.

Molecular Properties

Compound Name[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate
PubChem CID2079165
Molecular FormulaC18H18F2N2O6S
Molecular Weight428.41 g/mol
Exact Mass428.09
IUPAC Name[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2ccccc2OC(F)F)cc1
InChIInChI=1S/C18H18F2N2O6S/c1-22(2)29(25,26)13-9-7-12(8-10-13)17(24)27-11-16(23)21-14-5-3-4-6-15(14)28-18(19)20/h3-10,18H,11H2,1-2H3,(H,21,23)
InChIKeyZCPXAJAPPVENCW-UHFFFAOYSA-N
XLogP2.33
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.41
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate?
The IUPAC name of [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate (CID 2079165) is [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate.
What is the SMILES notation for [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate?
The canonical SMILES for [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate is CN(C)S(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2ccccc2OC(F)F)cc1.
What is the InChIKey of [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate?
The InChIKey is ZCPXAJAPPVENCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N2O6S/c1-22(2)29(25,26)13-9-7-12(8-10-13)17(24)27-11-16(23)21-14-5-3-4-6-15(14)28-18(19)20/h3-10,18H,11H2,1-2H3,(H,21,23).
What are the key properties of [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate?
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate has a molecular weight of 428.41 g/mol, XLogP of 2.33, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate is sourced from PubChem (CID 2079165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).