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

C18H20Cl2FN3O5S — CID 72949435

IUPAC5-chloro-4-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]oxy]-N-(dimethylsulfamoyl)-2-fluorobenzamide
SMILESCC(C)COc1ncc(Oc2cc(F)c(C(=O)NS(=O)(=O)N(C)C)cc2Cl)cc1Cl
InChIInChI=1S/C18H20Cl2FN3O5S/c1-10(2)9-28-18-14(20)5-11(8-22-18)29-16-7-15(21)12(6-13(16)19)17(25)23-30(26,27)24(3)4/h5-8,10H,9H2,1-4H3,(H,23,25)
InChIKeyFPPKSWZDWMUMIR-UHFFFAOYSA-N
MW480.35 g/mol
LogP3.89
Rot. Bonds8

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

5-chloro-4-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]oxy]-N-(dimethylsulfamoyl)-2-fluorobenzamide (PubChem CID 72949435) has the molecular formula C18H20Cl2FN3O5S and a molecular weight of 480.35 g/mol. Its IUPAC name is 5-chloro-4-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]oxy]-N-(dimethylsulfamoyl)-2-fluorobenzamide.

Molecular Properties

Compound Name5-chloro-4-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]oxy]-N-(dimethylsulfamoyl)-2-fluorobenzamide
PubChem CID72949435
Molecular FormulaC18H20Cl2FN3O5S
Molecular Weight480.35 g/mol
Exact Mass479.05
IUPAC Name5-chloro-4-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]oxy]-N-(dimethylsulfamoyl)-2-fluorobenzamide
SMILESCC(C)COc1ncc(Oc2cc(F)c(C(=O)NS(=O)(=O)N(C)C)cc2Cl)cc1Cl
InChIInChI=1S/C18H20Cl2FN3O5S/c1-10(2)9-28-18-14(20)5-11(8-22-18)29-16-7-15(21)12(6-13(16)19)17(25)23-30(26,27)24(3)4/h5-8,10H,9H2,1-4H3,(H,23,25)
InChIKeyFPPKSWZDWMUMIR-UHFFFAOYSA-N
XLogP3.89
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.35
LogP ≤ 53.89
H-Bond Donors ≤ 51
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]-N-(dimethylsulfamoyl)-2-fluorobenzamide?
The IUPAC name of 5-chloro-4-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]oxy]-N-(dimethylsulfamoyl)-2-fluorobenzamide (CID 72949435) is 5-chloro-4-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]oxy]-N-(dimethylsulfamoyl)-2-fluorobenzamide.
What is the SMILES notation for 5-chloro-4-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]oxy]-N-(dimethylsulfamoyl)-2-fluorobenzamide?
The canonical SMILES for 5-chloro-4-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]oxy]-N-(dimethylsulfamoyl)-2-fluorobenzamide is CC(C)COc1ncc(Oc2cc(F)c(C(=O)NS(=O)(=O)N(C)C)cc2Cl)cc1Cl.
What is the InChIKey of 5-chloro-4-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]oxy]-N-(dimethylsulfamoyl)-2-fluorobenzamide?
The InChIKey is FPPKSWZDWMUMIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2FN3O5S/c1-10(2)9-28-18-14(20)5-11(8-22-18)29-16-7-15(21)12(6-13(16)19)17(25)23-30(26,27)24(3)4/h5-8,10H,9H2,1-4H3,(H,23,25).
What are the key properties of 5-chloro-4-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]oxy]-N-(dimethylsulfamoyl)-2-fluorobenzamide?
5-chloro-4-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]oxy]-N-(dimethylsulfamoyl)-2-fluorobenzamide has a molecular weight of 480.35 g/mol, XLogP of 3.89, 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]-N-(dimethylsulfamoyl)-2-fluorobenzamide is sourced from PubChem (CID 72949435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).