5-chloro-4-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]oxy]-2-fluoro-N-piperidin-1-ylsulfonylbenzamide

C21H24Cl2FN3O5S — CID 72949964

IUPAC5-chloro-4-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]oxy]-2-fluoro-N-piperidin-1-ylsulfonylbenzamide
SMILESCC(C)COc1ncc(Oc2cc(F)c(C(=O)NS(=O)(=O)N3CCCCC3)cc2Cl)cc1Cl
InChIInChI=1S/C21H24Cl2FN3O5S/c1-13(2)12-31-21-17(23)8-14(11-25-21)32-19-10-18(24)15(9-16(19)22)20(28)26-33(29,30)27-6-4-3-5-7-27/h8-11,13H,3-7,12H2,1-2H3,(H,26,28)
InChIKeyWMIYPCKGALXUHY-UHFFFAOYSA-N
MW520.41 g/mol
LogP4.82
Rot. Bonds8

About 5-chloro-4-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]oxy]-2-fluoro-N-piperidin-1-ylsulfonylbenzamide

5-chloro-4-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]oxy]-2-fluoro-N-piperidin-1-ylsulfonylbenzamide (PubChem CID 72949964) has the molecular formula C21H24Cl2FN3O5S and a molecular weight of 520.41 g/mol. Its IUPAC name is 5-chloro-4-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]oxy]-2-fluoro-N-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound Name5-chloro-4-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]oxy]-2-fluoro-N-piperidin-1-ylsulfonylbenzamide
PubChem CID72949964
Molecular FormulaC21H24Cl2FN3O5S
Molecular Weight520.41 g/mol
Exact Mass519.08
IUPAC Name5-chloro-4-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]oxy]-2-fluoro-N-piperidin-1-ylsulfonylbenzamide
SMILESCC(C)COc1ncc(Oc2cc(F)c(C(=O)NS(=O)(=O)N3CCCCC3)cc2Cl)cc1Cl
InChIInChI=1S/C21H24Cl2FN3O5S/c1-13(2)12-31-21-17(23)8-14(11-25-21)32-19-10-18(24)15(9-16(19)22)20(28)26-33(29,30)27-6-4-3-5-7-27/h8-11,13H,3-7,12H2,1-2H3,(H,26,28)
InChIKeyWMIYPCKGALXUHY-UHFFFAOYSA-N
XLogP4.82
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.41
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-chloro-4-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]oxy]-2-fluoro-N-piperidin-1-ylsulfonylbenzamide with MolForge

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Related Compounds

4-{[(5-Chloro-6-isopropoxypyridin-3-yl)oxy]methyl}-N-[(dimethylamino)sulfonyl]-2,5-difluorobenzamide
CID 71616019
5-chloro-4-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]oxy]-2-fluoro-N-(methylsulfamoyl)benzamide
CID 72949434
N-(azetidin-1-ylsulfonyl)-5-chloro-4-[5-chloro-6-(2,2,3,3-tetrafluoropropoxy)pyridin-3-yl]oxy-2-fluorobenzamide
CID 89683010
US10071957, Example 87
CID 90021555
US10071957, Example 65
CID 72948526
US10071957, Example 66
CID 72948527
US10071957, Example 67
CID 72948528
US10071957, Example 68
CID 72948529
US10071957, Example 69
CID 72948530
US10071957, Example 63
CID 72948706
US10071957, Example 3
CID 72949435
US10071957, Example 75
CID 72949615

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]oxy]-2-fluoro-N-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of 5-chloro-4-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]oxy]-2-fluoro-N-piperidin-1-ylsulfonylbenzamide (CID 72949964) is 5-chloro-4-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]oxy]-2-fluoro-N-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for 5-chloro-4-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]oxy]-2-fluoro-N-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for 5-chloro-4-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]oxy]-2-fluoro-N-piperidin-1-ylsulfonylbenzamide is CC(C)COc1ncc(Oc2cc(F)c(C(=O)NS(=O)(=O)N3CCCCC3)cc2Cl)cc1Cl.
What is the InChIKey of 5-chloro-4-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]oxy]-2-fluoro-N-piperidin-1-ylsulfonylbenzamide?
The InChIKey is WMIYPCKGALXUHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24Cl2FN3O5S/c1-13(2)12-31-21-17(23)8-14(11-25-21)32-19-10-18(24)15(9-16(19)22)20(28)26-33(29,30)27-6-4-3-5-7-27/h8-11,13H,3-7,12H2,1-2H3,(H,26,28).
What are the key properties of 5-chloro-4-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]oxy]-2-fluoro-N-piperidin-1-ylsulfonylbenzamide?
5-chloro-4-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]oxy]-2-fluoro-N-piperidin-1-ylsulfonylbenzamide has a molecular weight of 520.41 g/mol, XLogP of 4.82, 8 rotatable bonds, 1 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-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 72949964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).