5-chloro-4-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]oxy]-2-fluoro-N-(methylsulfamoyl)benzamide

C17H18Cl2FN3O5S — CID 72949434

IUPAC5-chloro-4-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]oxy]-2-fluoro-N-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)NC(=O)c1cc(Cl)c(Oc2cnc(OCC(C)C)c(Cl)c2)cc1F
InChIInChI=1S/C17H18Cl2FN3O5S/c1-9(2)8-27-17-13(19)4-10(7-22-17)28-15-6-14(20)11(5-12(15)18)16(24)23-29(25,26)21-3/h4-7,9,21H,8H2,1-3H3,(H,23,24)
InChIKeyJUNVHJRBBDXQAH-UHFFFAOYSA-N
MW466.32 g/mol
LogP3.55
Rot. Bonds8

About 5-chloro-4-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]oxy]-2-fluoro-N-(methylsulfamoyl)benzamide

5-chloro-4-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]oxy]-2-fluoro-N-(methylsulfamoyl)benzamide (PubChem CID 72949434) has the molecular formula C17H18Cl2FN3O5S and a molecular weight of 466.32 g/mol. Its IUPAC name is 5-chloro-4-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]oxy]-2-fluoro-N-(methylsulfamoyl)benzamide.

Molecular Properties

Compound Name5-chloro-4-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]oxy]-2-fluoro-N-(methylsulfamoyl)benzamide
PubChem CID72949434
Molecular FormulaC17H18Cl2FN3O5S
Molecular Weight466.32 g/mol
Exact Mass465.03
IUPAC Name5-chloro-4-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]oxy]-2-fluoro-N-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)NC(=O)c1cc(Cl)c(Oc2cnc(OCC(C)C)c(Cl)c2)cc1F
InChIInChI=1S/C17H18Cl2FN3O5S/c1-9(2)8-27-17-13(19)4-10(7-22-17)28-15-6-14(20)11(5-12(15)18)16(24)23-29(25,26)21-3/h4-7,9,21H,8H2,1-3H3,(H,23,24)
InChIKeyJUNVHJRBBDXQAH-UHFFFAOYSA-N
XLogP3.55
TPSA106.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.32
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]oxy]-2-fluoro-N-(methylsulfamoyl)benzamide?
The IUPAC name of 5-chloro-4-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]oxy]-2-fluoro-N-(methylsulfamoyl)benzamide (CID 72949434) is 5-chloro-4-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]oxy]-2-fluoro-N-(methylsulfamoyl)benzamide.
What is the SMILES notation for 5-chloro-4-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]oxy]-2-fluoro-N-(methylsulfamoyl)benzamide?
The canonical SMILES for 5-chloro-4-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]oxy]-2-fluoro-N-(methylsulfamoyl)benzamide is CNS(=O)(=O)NC(=O)c1cc(Cl)c(Oc2cnc(OCC(C)C)c(Cl)c2)cc1F.
What is the InChIKey of 5-chloro-4-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]oxy]-2-fluoro-N-(methylsulfamoyl)benzamide?
The InChIKey is JUNVHJRBBDXQAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2FN3O5S/c1-9(2)8-27-17-13(19)4-10(7-22-17)28-15-6-14(20)11(5-12(15)18)16(24)23-29(25,26)21-3/h4-7,9,21H,8H2,1-3H3,(H,23,24).
What are the key properties of 5-chloro-4-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]oxy]-2-fluoro-N-(methylsulfamoyl)benzamide?
5-chloro-4-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]oxy]-2-fluoro-N-(methylsulfamoyl)benzamide has a molecular weight of 466.32 g/mol, XLogP of 3.55, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]oxy]-2-fluoro-N-(methylsulfamoyl)benzamide is sourced from PubChem (CID 72949434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).