5-chloro-4-[4-chloro-3-(trifluoromethyl)phenoxy]-2-fluoro-N-(methylsulfamoyl)benzamide

C15H10Cl2F4N2O4S — CID 90021133

IUPAC5-chloro-4-[4-chloro-3-(trifluoromethyl)phenoxy]-2-fluoro-N-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)NC(=O)c1cc(Cl)c(Oc2ccc(Cl)c(C(F)(F)F)c2)cc1F
InChIInChI=1S/C15H10Cl2F4N2O4S/c1-22-28(25,26)23-14(24)8-5-11(17)13(6-12(8)18)27-7-2-3-10(16)9(4-7)15(19,20)21/h2-6,22H,1H3,(H,23,24)
InChIKeyOYZAUKLTUHYZQA-UHFFFAOYSA-N
MW461.22 g/mol
LogP4.14
Rot. Bonds5

About 5-chloro-4-[4-chloro-3-(trifluoromethyl)phenoxy]-2-fluoro-N-(methylsulfamoyl)benzamide

5-chloro-4-[4-chloro-3-(trifluoromethyl)phenoxy]-2-fluoro-N-(methylsulfamoyl)benzamide (PubChem CID 90021133) has the molecular formula C15H10Cl2F4N2O4S and a molecular weight of 461.22 g/mol. Its IUPAC name is 5-chloro-4-[4-chloro-3-(trifluoromethyl)phenoxy]-2-fluoro-N-(methylsulfamoyl)benzamide.

Molecular Properties

Compound Name5-chloro-4-[4-chloro-3-(trifluoromethyl)phenoxy]-2-fluoro-N-(methylsulfamoyl)benzamide
PubChem CID90021133
Molecular FormulaC15H10Cl2F4N2O4S
Molecular Weight461.22 g/mol
Exact Mass459.97
IUPAC Name5-chloro-4-[4-chloro-3-(trifluoromethyl)phenoxy]-2-fluoro-N-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)NC(=O)c1cc(Cl)c(Oc2ccc(Cl)c(C(F)(F)F)c2)cc1F
InChIInChI=1S/C15H10Cl2F4N2O4S/c1-22-28(25,26)23-14(24)8-5-11(17)13(6-12(8)18)27-7-2-3-10(16)9(4-7)15(19,20)21/h2-6,22H,1H3,(H,23,24)
InChIKeyOYZAUKLTUHYZQA-UHFFFAOYSA-N
XLogP4.14
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.22
LogP ≤ 54.14
H-Bond Donors ≤ 52
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]-2-fluoro-N-(methylsulfamoyl)benzamide?
The IUPAC name of 5-chloro-4-[4-chloro-3-(trifluoromethyl)phenoxy]-2-fluoro-N-(methylsulfamoyl)benzamide (CID 90021133) is 5-chloro-4-[4-chloro-3-(trifluoromethyl)phenoxy]-2-fluoro-N-(methylsulfamoyl)benzamide.
What is the SMILES notation for 5-chloro-4-[4-chloro-3-(trifluoromethyl)phenoxy]-2-fluoro-N-(methylsulfamoyl)benzamide?
The canonical SMILES for 5-chloro-4-[4-chloro-3-(trifluoromethyl)phenoxy]-2-fluoro-N-(methylsulfamoyl)benzamide is CNS(=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]-2-fluoro-N-(methylsulfamoyl)benzamide?
The InChIKey is OYZAUKLTUHYZQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2F4N2O4S/c1-22-28(25,26)23-14(24)8-5-11(17)13(6-12(8)18)27-7-2-3-10(16)9(4-7)15(19,20)21/h2-6,22H,1H3,(H,23,24).
What are the key properties of 5-chloro-4-[4-chloro-3-(trifluoromethyl)phenoxy]-2-fluoro-N-(methylsulfamoyl)benzamide?
5-chloro-4-[4-chloro-3-(trifluoromethyl)phenoxy]-2-fluoro-N-(methylsulfamoyl)benzamide has a molecular weight of 461.22 g/mol, XLogP of 4.14, 5 rotatable bonds, 2 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]-2-fluoro-N-(methylsulfamoyl)benzamide is sourced from PubChem (CID 90021133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).