4-[4-chloro-3-(trifluoromethyl)phenoxy]-2-fluoro-5-methyl-N-methylsulfonylbenzamide

C16H12ClF4NO4S — CID 56592533

IUPAC4-[4-chloro-3-(trifluoromethyl)phenoxy]-2-fluoro-5-methyl-N-methylsulfonylbenzamide
SMILESCc1cc(C(=O)NS(C)(=O)=O)c(F)cc1Oc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C16H12ClF4NO4S/c1-8-5-10(15(23)22-27(2,24)25)13(18)7-14(8)26-9-3-4-12(17)11(6-9)16(19,20)21/h3-7H,1-2H3,(H,22,23)
InChIKeyCNDGSXWPRJGIQY-UHFFFAOYSA-N
MW425.79 g/mol
LogP4.29
Rot. Bonds4

About 4-[4-chloro-3-(trifluoromethyl)phenoxy]-2-fluoro-5-methyl-N-methylsulfonylbenzamide

4-[4-chloro-3-(trifluoromethyl)phenoxy]-2-fluoro-5-methyl-N-methylsulfonylbenzamide (PubChem CID 56592533) has the molecular formula C16H12ClF4NO4S and a molecular weight of 425.79 g/mol. Its IUPAC name is 4-[4-chloro-3-(trifluoromethyl)phenoxy]-2-fluoro-5-methyl-N-methylsulfonylbenzamide.

Molecular Properties

Compound Name4-[4-chloro-3-(trifluoromethyl)phenoxy]-2-fluoro-5-methyl-N-methylsulfonylbenzamide
PubChem CID56592533
Molecular FormulaC16H12ClF4NO4S
Molecular Weight425.79 g/mol
Exact Mass425.01
IUPAC Name4-[4-chloro-3-(trifluoromethyl)phenoxy]-2-fluoro-5-methyl-N-methylsulfonylbenzamide
SMILESCc1cc(C(=O)NS(C)(=O)=O)c(F)cc1Oc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C16H12ClF4NO4S/c1-8-5-10(15(23)22-27(2,24)25)13(18)7-14(8)26-9-3-4-12(17)11(6-9)16(19,20)21/h3-7H,1-2H3,(H,22,23)
InChIKeyCNDGSXWPRJGIQY-UHFFFAOYSA-N
XLogP4.29
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.79
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-chlorophenoxy)-2,5-difluoro-N-methylsulfonylbenzamide
CID 66767003
4-[4-chloro-3-(trifluoromethyl)phenoxy]-N-(methylsulfamoyl)benzamide
CID 71626628
4-[[4-chloro-3-(trifluoromethyl)phenoxy]methyl]-N-(dimethylsulfamoyl)-2,5-difluorobenzamide
CID 71616023
4-(2,3-dichlorophenoxy)-2,5-difluoro-N-methylsulfonylbenzamide
CID 66667432
5-chloro-4-[3-chloro-4-(trifluoromethoxy)phenoxy]-2-fluoro-N-sulfamoylbenzamide
CID 72949786
5-chloro-4-[[5-chloro-6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]oxy]-2-fluoro-N-methylsulfonylbenzamide
CID 58042409
4-[(3,4-dichlorophenoxy)methyl]-2,5-difluoro-N-methylsulfonylbenzamide
CID 66667669
4-(3-chloro-4-fluorophenoxy)-N-methylsulfonylbenzamide
CID 66767262
2,5-difluoro-4-[(6-methoxy-3-pyridinyl)oxy]-N-methylsulfonylbenzamide
CID 66666992
4-(3-cyanophenoxy)-2,5-difluoro-N-methylsulfonylbenzamide
CID 66766760
4-[3-chloro-4-(trifluoromethoxy)phenoxy]-2-fluoro-N-methylsulfonyl-5-(2-propoxy-3-pyridinyl)benzamide
CID 71610529
5-(2-ethoxy-3-pyridinyl)-2-fluoro-N-methylsulfonyl-4-[4-(trifluoromethyl)phenoxy]benzamide
CID 71612521

Frequently Asked Questions

What is the IUPAC name of 4-[4-chloro-3-(trifluoromethyl)phenoxy]-2-fluoro-5-methyl-N-methylsulfonylbenzamide?
The IUPAC name of 4-[4-chloro-3-(trifluoromethyl)phenoxy]-2-fluoro-5-methyl-N-methylsulfonylbenzamide (CID 56592533) is 4-[4-chloro-3-(trifluoromethyl)phenoxy]-2-fluoro-5-methyl-N-methylsulfonylbenzamide.
What is the SMILES notation for 4-[4-chloro-3-(trifluoromethyl)phenoxy]-2-fluoro-5-methyl-N-methylsulfonylbenzamide?
The canonical SMILES for 4-[4-chloro-3-(trifluoromethyl)phenoxy]-2-fluoro-5-methyl-N-methylsulfonylbenzamide is Cc1cc(C(=O)NS(C)(=O)=O)c(F)cc1Oc1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of 4-[4-chloro-3-(trifluoromethyl)phenoxy]-2-fluoro-5-methyl-N-methylsulfonylbenzamide?
The InChIKey is CNDGSXWPRJGIQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClF4NO4S/c1-8-5-10(15(23)22-27(2,24)25)13(18)7-14(8)26-9-3-4-12(17)11(6-9)16(19,20)21/h3-7H,1-2H3,(H,22,23).
What are the key properties of 4-[4-chloro-3-(trifluoromethyl)phenoxy]-2-fluoro-5-methyl-N-methylsulfonylbenzamide?
4-[4-chloro-3-(trifluoromethyl)phenoxy]-2-fluoro-5-methyl-N-methylsulfonylbenzamide has a molecular weight of 425.79 g/mol, XLogP of 4.29, 4 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]-2-fluoro-5-methyl-N-methylsulfonylbenzamide is sourced from PubChem (CID 56592533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).