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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Related Compounds

5-chloro-4-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]oxy]-2-fluorobenzamide
CID 123929406
(2S)-2-[[5-chloro-4-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]oxy]-2-fluorobenzoyl]amino]-3-methylpentanoic acid
CID 118653705
(2S)-2-[[5-chloro-4-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]oxy]-2-fluorobenzoyl]amino]-3-methylbutanoic acid
CID 118653703
5-chloro-4-[[5-chloro-6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]oxy]-2-fluoro-N-methylsulfonylbenzamide
CID 58042409
5-chloro-4-[[5-chloro-6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]oxy]-N-(dimethylsulfamoyl)-2-fluorobenzamide
CID 72950465
5-chloro-4-[[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]oxy]-N-(cyclopropylsulfonimidoyl)-2-fluorobenzamide
CID 131964563
4-[[5-chloro-6-[methyl(propan-2-yl)amino]-3-pyridinyl]oxy]-N-(dimethylsulfamoyl)-2,5-difluorobenzamide
CID 118432599
4-[3-(3-bicyclo[3.3.1]nonanyl)propoxy]-5-chloro-2-fluoro-N-(methylsulfamoyl)benzamide
CID 130457847
4-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]amino]-5-ethanimidoyl-2-fluoro-N-methylsulfonylbenzamide
CID 129177733
5-chloro-4-[3-chloro-4-(trifluoromethoxy)phenoxy]-2-fluoro-N-sulfamoylbenzamide
CID 72949786
N-(azetidin-1-ylsulfonyl)-4-[[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]oxy]-5-ethenyl-2-fluorobenzamide
CID 90021610
5-chloro-4-[3-chloro-5-(2-methylpropoxy)indazol-1-yl]-2-fluoro-N-methylsulfonylbenzamide
CID 122458711

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).