4-[[4-chloro-3-(trifluoromethyl)phenoxy]methyl]-N-(dimethylsulfamoyl)-2,5-difluorobenzamide

C17H14ClF5N2O4S — CID 71616023

IUPAC4-[[4-chloro-3-(trifluoromethyl)phenoxy]methyl]-N-(dimethylsulfamoyl)-2,5-difluorobenzamide
SMILESCN(C)S(=O)(=O)NC(=O)c1cc(F)c(COc2ccc(Cl)c(C(F)(F)F)c2)cc1F
InChIInChI=1S/C17H14ClF5N2O4S/c1-25(2)30(27,28)24-16(26)11-7-14(19)9(5-15(11)20)8-29-10-3-4-13(18)12(6-10)17(21,22)23/h3-7H,8H2,1-2H3,(H,24,26)
InChIKeyYQTSHCGANCWDNO-UHFFFAOYSA-N
MW472.82 g/mol
LogP3.75
Rot. Bonds6

About 4-[[4-chloro-3-(trifluoromethyl)phenoxy]methyl]-N-(dimethylsulfamoyl)-2,5-difluorobenzamide

4-[[4-chloro-3-(trifluoromethyl)phenoxy]methyl]-N-(dimethylsulfamoyl)-2,5-difluorobenzamide (PubChem CID 71616023) has the molecular formula C17H14ClF5N2O4S and a molecular weight of 472.82 g/mol. Its IUPAC name is 4-[[4-chloro-3-(trifluoromethyl)phenoxy]methyl]-N-(dimethylsulfamoyl)-2,5-difluorobenzamide.

Molecular Properties

Compound Name4-[[4-chloro-3-(trifluoromethyl)phenoxy]methyl]-N-(dimethylsulfamoyl)-2,5-difluorobenzamide
PubChem CID71616023
Molecular FormulaC17H14ClF5N2O4S
Molecular Weight472.82 g/mol
Exact Mass472.03
IUPAC Name4-[[4-chloro-3-(trifluoromethyl)phenoxy]methyl]-N-(dimethylsulfamoyl)-2,5-difluorobenzamide
SMILESCN(C)S(=O)(=O)NC(=O)c1cc(F)c(COc2ccc(Cl)c(C(F)(F)F)c2)cc1F
InChIInChI=1S/C17H14ClF5N2O4S/c1-25(2)30(27,28)24-16(26)11-7-14(19)9(5-15(11)20)8-29-10-3-4-13(18)12(6-10)17(21,22)23/h3-7H,8H2,1-2H3,(H,24,26)
InChIKeyYQTSHCGANCWDNO-UHFFFAOYSA-N
XLogP3.75
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.82
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[[4-chloro-3-(trifluoromethyl)phenoxy]methyl]-N-(dimethylsulfamoyl)-2,5-difluorobenzamide 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

4-[(3,4-dichlorophenoxy)methyl]-2,5-difluoro-N-methylsulfonylbenzamide
CID 66667669
4-[4-chloro-3-(trifluoromethyl)phenoxy]-2-fluoro-5-methyl-N-methylsulfonylbenzamide
CID 56592533
4-[(5-chloro-6-fluoro-3-pyridinyl)oxymethyl]-2,5-difluoro-N-methylsulfonylbenzamide
CID 56644572
5-chloro-4-[[5-chloro-6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]oxy]-N-(dimethylsulfamoyl)-2-fluorobenzamide
CID 72950465
5-chloro-N-(dimethylsulfamoyl)-2-fluoro-4-(spiro[3.5]nonan-7-ylmethoxy)benzamide
CID 86702851
4-[2-(1-adamantyl)ethoxy]-5-chloro-N-(dimethylsulfamoyl)-2-fluorobenzamide
CID 86702885
5-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]-N-(dimethylsulfamoyl)-2-nitrobenzamide
CID 13339600
4-[4-chloro-3-(trifluoromethyl)phenoxy]-N-(methylsulfamoyl)benzamide
CID 71626628
5-chloro-N-(dimethylsulfamoyl)-4-(3-ethyl-2-methylhex-5-enoxy)-2-fluorobenzamide
CID 130457762
5-chloro-4-[(3-chloro-4-methylphenoxy)methyl]-2-fluorobenzoic acid
CID 118501542
2-[[4-chloro-3-(trifluoromethyl)phenoxy]methyl]prop-2-enoic acid
CID 166364773
3-[4-chloro-3-(trifluoromethyl)phenoxy]propan-1-amine
CID 83409125

Frequently Asked Questions

What is the IUPAC name of 4-[[4-chloro-3-(trifluoromethyl)phenoxy]methyl]-N-(dimethylsulfamoyl)-2,5-difluorobenzamide?
The IUPAC name of 4-[[4-chloro-3-(trifluoromethyl)phenoxy]methyl]-N-(dimethylsulfamoyl)-2,5-difluorobenzamide (CID 71616023) is 4-[[4-chloro-3-(trifluoromethyl)phenoxy]methyl]-N-(dimethylsulfamoyl)-2,5-difluorobenzamide.
What is the SMILES notation for 4-[[4-chloro-3-(trifluoromethyl)phenoxy]methyl]-N-(dimethylsulfamoyl)-2,5-difluorobenzamide?
The canonical SMILES for 4-[[4-chloro-3-(trifluoromethyl)phenoxy]methyl]-N-(dimethylsulfamoyl)-2,5-difluorobenzamide is CN(C)S(=O)(=O)NC(=O)c1cc(F)c(COc2ccc(Cl)c(C(F)(F)F)c2)cc1F.
What is the InChIKey of 4-[[4-chloro-3-(trifluoromethyl)phenoxy]methyl]-N-(dimethylsulfamoyl)-2,5-difluorobenzamide?
The InChIKey is YQTSHCGANCWDNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClF5N2O4S/c1-25(2)30(27,28)24-16(26)11-7-14(19)9(5-15(11)20)8-29-10-3-4-13(18)12(6-10)17(21,22)23/h3-7H,8H2,1-2H3,(H,24,26).
What are the key properties of 4-[[4-chloro-3-(trifluoromethyl)phenoxy]methyl]-N-(dimethylsulfamoyl)-2,5-difluorobenzamide?
4-[[4-chloro-3-(trifluoromethyl)phenoxy]methyl]-N-(dimethylsulfamoyl)-2,5-difluorobenzamide has a molecular weight of 472.82 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-chloro-3-(trifluoromethyl)phenoxy]methyl]-N-(dimethylsulfamoyl)-2,5-difluorobenzamide is sourced from PubChem (CID 71616023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).