5-chloro-4-[4-chloro-3-(trifluoromethyl)phenoxy]-N-(dimethylsulfamoyl)-2-fluorobenzamide

C16H12Cl2F4N2O4S — CID 72949616

IUPAC5-chloro-4-[4-chloro-3-(trifluoromethyl)phenoxy]-N-(dimethylsulfamoyl)-2-fluorobenzamide
SMILESCN(C)S(=O)(=O)NC(=O)c1cc(Cl)c(Oc2ccc(Cl)c(C(F)(F)F)c2)cc1F
InChIInChI=1S/C16H12Cl2F4N2O4S/c1-24(2)29(26,27)23-15(25)9-6-12(18)14(7-13(9)19)28-8-3-4-11(17)10(5-8)16(20,21)22/h3-7H,1-2H3,(H,23,25)
InChIKeyNYADXDODZFLYRT-UHFFFAOYSA-N
MW475.25 g/mol
LogP4.48
Rot. Bonds5

About 5-chloro-4-[4-chloro-3-(trifluoromethyl)phenoxy]-N-(dimethylsulfamoyl)-2-fluorobenzamide

5-chloro-4-[4-chloro-3-(trifluoromethyl)phenoxy]-N-(dimethylsulfamoyl)-2-fluorobenzamide (PubChem CID 72949616) has the molecular formula C16H12Cl2F4N2O4S and a molecular weight of 475.25 g/mol. Its IUPAC name is 5-chloro-4-[4-chloro-3-(trifluoromethyl)phenoxy]-N-(dimethylsulfamoyl)-2-fluorobenzamide.

Molecular Properties

Compound Name5-chloro-4-[4-chloro-3-(trifluoromethyl)phenoxy]-N-(dimethylsulfamoyl)-2-fluorobenzamide
PubChem CID72949616
Molecular FormulaC16H12Cl2F4N2O4S
Molecular Weight475.25 g/mol
Exact Mass473.98
IUPAC Name5-chloro-4-[4-chloro-3-(trifluoromethyl)phenoxy]-N-(dimethylsulfamoyl)-2-fluorobenzamide
SMILESCN(C)S(=O)(=O)NC(=O)c1cc(Cl)c(Oc2ccc(Cl)c(C(F)(F)F)c2)cc1F
InChIInChI=1S/C16H12Cl2F4N2O4S/c1-24(2)29(26,27)23-15(25)9-6-12(18)14(7-13(9)19)28-8-3-4-11(17)10(5-8)16(20,21)22/h3-7H,1-2H3,(H,23,25)
InChIKeyNYADXDODZFLYRT-UHFFFAOYSA-N
XLogP4.48
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.25
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[4-chloro-3-(trifluoromethyl)phenoxy]-N-(dimethylsulfamoyl)-2-fluorobenzamide?
The IUPAC name of 5-chloro-4-[4-chloro-3-(trifluoromethyl)phenoxy]-N-(dimethylsulfamoyl)-2-fluorobenzamide (CID 72949616) is 5-chloro-4-[4-chloro-3-(trifluoromethyl)phenoxy]-N-(dimethylsulfamoyl)-2-fluorobenzamide.
What is the SMILES notation for 5-chloro-4-[4-chloro-3-(trifluoromethyl)phenoxy]-N-(dimethylsulfamoyl)-2-fluorobenzamide?
The canonical SMILES for 5-chloro-4-[4-chloro-3-(trifluoromethyl)phenoxy]-N-(dimethylsulfamoyl)-2-fluorobenzamide is CN(C)S(=O)(=O)NC(=O)c1cc(Cl)c(Oc2ccc(Cl)c(C(F)(F)F)c2)cc1F.
What is the InChIKey of 5-chloro-4-[4-chloro-3-(trifluoromethyl)phenoxy]-N-(dimethylsulfamoyl)-2-fluorobenzamide?
The InChIKey is NYADXDODZFLYRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2F4N2O4S/c1-24(2)29(26,27)23-15(25)9-6-12(18)14(7-13(9)19)28-8-3-4-11(17)10(5-8)16(20,21)22/h3-7H,1-2H3,(H,23,25).
What are the key properties of 5-chloro-4-[4-chloro-3-(trifluoromethyl)phenoxy]-N-(dimethylsulfamoyl)-2-fluorobenzamide?
5-chloro-4-[4-chloro-3-(trifluoromethyl)phenoxy]-N-(dimethylsulfamoyl)-2-fluorobenzamide has a molecular weight of 475.25 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[4-chloro-3-(trifluoromethyl)phenoxy]-N-(dimethylsulfamoyl)-2-fluorobenzamide is sourced from PubChem (CID 72949616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).