4-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]oxy]-5-cyano-N-(dimethylsulfamoyl)-2-fluorobenzamide

C19H20ClFN4O5S — CID 72948526

IUPAC4-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]oxy]-5-cyano-N-(dimethylsulfamoyl)-2-fluorobenzamide
SMILESCC(C)COc1ncc(Oc2cc(F)c(C(=O)NS(=O)(=O)N(C)C)cc2C#N)cc1Cl
InChIInChI=1S/C19H20ClFN4O5S/c1-11(2)10-29-19-15(20)6-13(9-23-19)30-17-7-16(21)14(5-12(17)8-22)18(26)24-31(27,28)25(3)4/h5-7,9,11H,10H2,1-4H3,(H,24,26)
InChIKeyRVXWLOQBKHPZCC-UHFFFAOYSA-N
MW470.91 g/mol
LogP3.11
Rot. Bonds8

About 4-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]oxy]-5-cyano-N-(dimethylsulfamoyl)-2-fluorobenzamide

4-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]oxy]-5-cyano-N-(dimethylsulfamoyl)-2-fluorobenzamide (PubChem CID 72948526) has the molecular formula C19H20ClFN4O5S and a molecular weight of 470.91 g/mol. Its IUPAC name is 4-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]oxy]-5-cyano-N-(dimethylsulfamoyl)-2-fluorobenzamide.

Molecular Properties

Compound Name4-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]oxy]-5-cyano-N-(dimethylsulfamoyl)-2-fluorobenzamide
PubChem CID72948526
Molecular FormulaC19H20ClFN4O5S
Molecular Weight470.91 g/mol
Exact Mass470.08
IUPAC Name4-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]oxy]-5-cyano-N-(dimethylsulfamoyl)-2-fluorobenzamide
SMILESCC(C)COc1ncc(Oc2cc(F)c(C(=O)NS(=O)(=O)N(C)C)cc2C#N)cc1Cl
InChIInChI=1S/C19H20ClFN4O5S/c1-11(2)10-29-19-15(20)6-13(9-23-19)30-17-7-16(21)14(5-12(17)8-22)18(26)24-31(27,28)25(3)4/h5-7,9,11H,10H2,1-4H3,(H,24,26)
InChIKeyRVXWLOQBKHPZCC-UHFFFAOYSA-N
XLogP3.11
TPSA121.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.91
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]oxy]-5-cyano-N-(dimethylsulfamoyl)-2-fluorobenzamide 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 66
CID 72948527
US10071957, Example 67
CID 72948528
US10071957, Example 68
CID 72948529
US10071957, Example 3
CID 72949435
US10071957, Example 75
CID 72949615
US10071957, Example 4
CID 72949618
US10071957, Example 14
CID 72949790
US10071957, Example 15
CID 72949964

Frequently Asked Questions

What is the IUPAC name of 4-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]oxy]-5-cyano-N-(dimethylsulfamoyl)-2-fluorobenzamide?
The IUPAC name of 4-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]oxy]-5-cyano-N-(dimethylsulfamoyl)-2-fluorobenzamide (CID 72948526) is 4-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]oxy]-5-cyano-N-(dimethylsulfamoyl)-2-fluorobenzamide.
What is the SMILES notation for 4-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]oxy]-5-cyano-N-(dimethylsulfamoyl)-2-fluorobenzamide?
The canonical SMILES for 4-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]oxy]-5-cyano-N-(dimethylsulfamoyl)-2-fluorobenzamide is CC(C)COc1ncc(Oc2cc(F)c(C(=O)NS(=O)(=O)N(C)C)cc2C#N)cc1Cl.
What is the InChIKey of 4-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]oxy]-5-cyano-N-(dimethylsulfamoyl)-2-fluorobenzamide?
The InChIKey is RVXWLOQBKHPZCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClFN4O5S/c1-11(2)10-29-19-15(20)6-13(9-23-19)30-17-7-16(21)14(5-12(17)8-22)18(26)24-31(27,28)25(3)4/h5-7,9,11H,10H2,1-4H3,(H,24,26).
What are the key properties of 4-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]oxy]-5-cyano-N-(dimethylsulfamoyl)-2-fluorobenzamide?
4-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]oxy]-5-cyano-N-(dimethylsulfamoyl)-2-fluorobenzamide has a molecular weight of 470.91 g/mol, XLogP of 3.11, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]oxy]-5-cyano-N-(dimethylsulfamoyl)-2-fluorobenzamide is sourced from PubChem (CID 72948526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).