[2-[2,4-bis(difluoromethoxy)phenyl]-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate

C19H17F4NO7S — CID 2392044

IUPAC[2-[2,4-bis(difluoromethoxy)phenyl]-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)OCC(=O)c2ccc(OC(F)F)cc2OC(F)F)cc1
InChIInChI=1S/C19H17F4NO7S/c1-24(2)32(27,28)13-6-3-11(4-7-13)17(26)29-10-15(25)14-8-5-12(30-18(20)21)9-16(14)31-19(22)23/h3-9,18-19H,10H2,1-2H3
InChIKeyNMELQZWWKSGNJV-UHFFFAOYSA-N
MW479.40 g/mol
LogP3.18
Rot. Bonds10

About [2-[2,4-bis(difluoromethoxy)phenyl]-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate

[2-[2,4-bis(difluoromethoxy)phenyl]-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate (PubChem CID 2392044) has the molecular formula C19H17F4NO7S and a molecular weight of 479.40 g/mol. Its IUPAC name is [2-[2,4-bis(difluoromethoxy)phenyl]-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate.

Molecular Properties

Compound Name[2-[2,4-bis(difluoromethoxy)phenyl]-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate
PubChem CID2392044
Molecular FormulaC19H17F4NO7S
Molecular Weight479.40 g/mol
Exact Mass479.07
IUPAC Name[2-[2,4-bis(difluoromethoxy)phenyl]-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)OCC(=O)c2ccc(OC(F)F)cc2OC(F)F)cc1
InChIInChI=1S/C19H17F4NO7S/c1-24(2)32(27,28)13-6-3-11(4-7-13)17(26)29-10-15(25)14-8-5-12(30-18(20)21)9-16(14)31-19(22)23/h3-9,18-19H,10H2,1-2H3
InChIKeyNMELQZWWKSGNJV-UHFFFAOYSA-N
XLogP3.18
TPSA99.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.40
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [2-[2,4-bis(difluoromethoxy)phenyl]-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-[2,4-bis(difluoromethoxy)phenyl]-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate?
The IUPAC name of [2-[2,4-bis(difluoromethoxy)phenyl]-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate (CID 2392044) is [2-[2,4-bis(difluoromethoxy)phenyl]-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate.
What is the SMILES notation for [2-[2,4-bis(difluoromethoxy)phenyl]-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate?
The canonical SMILES for [2-[2,4-bis(difluoromethoxy)phenyl]-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate is CN(C)S(=O)(=O)c1ccc(C(=O)OCC(=O)c2ccc(OC(F)F)cc2OC(F)F)cc1.
What is the InChIKey of [2-[2,4-bis(difluoromethoxy)phenyl]-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate?
The InChIKey is NMELQZWWKSGNJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F4NO7S/c1-24(2)32(27,28)13-6-3-11(4-7-13)17(26)29-10-15(25)14-8-5-12(30-18(20)21)9-16(14)31-19(22)23/h3-9,18-19H,10H2,1-2H3.
What are the key properties of [2-[2,4-bis(difluoromethoxy)phenyl]-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate?
[2-[2,4-bis(difluoromethoxy)phenyl]-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate has a molecular weight of 479.40 g/mol, XLogP of 3.18, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2,4-bis(difluoromethoxy)phenyl]-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate is sourced from PubChem (CID 2392044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).