5-chloro-4-[[5-chloro-6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]oxy]-2-fluoro-N-methylsulfonylbenzamide

C17H17Cl2FN2O5S — CID 58042409

IUPAC5-chloro-4-[[5-chloro-6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]oxy]-2-fluoro-N-methylsulfonylbenzamide
SMILESCC(C)(C)Oc1ncc(Oc2cc(F)c(C(=O)NS(C)(=O)=O)cc2Cl)cc1Cl
InChIInChI=1S/C17H17Cl2FN2O5S/c1-17(2,3)27-16-12(19)5-9(8-21-16)26-14-7-13(20)10(6-11(14)18)15(23)22-28(4,24)25/h5-8H,1-4H3,(H,22,23)
InChIKeyOQRHQUVREJXKTF-UHFFFAOYSA-N
MW451.30 g/mol
LogP4.19
Rot. Bonds5

About 5-chloro-4-[[5-chloro-6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]oxy]-2-fluoro-N-methylsulfonylbenzamide

5-chloro-4-[[5-chloro-6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]oxy]-2-fluoro-N-methylsulfonylbenzamide (PubChem CID 58042409) has the molecular formula C17H17Cl2FN2O5S and a molecular weight of 451.30 g/mol. Its IUPAC name is 5-chloro-4-[[5-chloro-6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]oxy]-2-fluoro-N-methylsulfonylbenzamide.

Molecular Properties

Compound Name5-chloro-4-[[5-chloro-6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]oxy]-2-fluoro-N-methylsulfonylbenzamide
PubChem CID58042409
Molecular FormulaC17H17Cl2FN2O5S
Molecular Weight451.30 g/mol
Exact Mass450.02
IUPAC Name5-chloro-4-[[5-chloro-6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]oxy]-2-fluoro-N-methylsulfonylbenzamide
SMILESCC(C)(C)Oc1ncc(Oc2cc(F)c(C(=O)NS(C)(=O)=O)cc2Cl)cc1Cl
InChIInChI=1S/C17H17Cl2FN2O5S/c1-17(2,3)27-16-12(19)5-9(8-21-16)26-14-7-13(20)10(6-11(14)18)15(23)22-28(4,24)25/h5-8H,1-4H3,(H,22,23)
InChIKeyOQRHQUVREJXKTF-UHFFFAOYSA-N
XLogP4.19
TPSA94.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.30
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-chloro-4-[[5-chloro-6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]oxy]-2-fluoro-N-methylsulfonylbenzamide with MolForge

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Related Compounds

5-chloro-4-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]oxy]-2-fluoro-N-(methylsulfamoyl)benzamide
CID 72949434
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-(3-chlorophenoxy)-2,5-difluoro-N-methylsulfonylbenzamide
CID 66767003
2,5-difluoro-4-[(6-methoxy-3-pyridinyl)oxy]-N-methylsulfonylbenzamide
CID 66666992
4-[(5-chloro-6-fluoro-3-pyridinyl)oxymethyl]-2,5-difluoro-N-methylsulfonylbenzamide
CID 56644572
5-chloro-4-[3-chloro-4-(trifluoromethoxy)phenoxy]-2-fluoro-N-sulfamoylbenzamide
CID 72949786
4-[5-chloro-6-(2,6-dichloro-4-fluorophenoxy)-3-pyridinyl]-2,5-difluoro-N-methylsulfonylbenzamide
CID 122422581
4-[5-chloro-6-(2,4,6-trichlorophenoxy)-3-pyridinyl]-2,5-difluoro-N-methylsulfonylbenzamide
CID 122422604
4-[[5-chloro-6-[methyl(propan-2-yl)amino]-3-pyridinyl]oxy]-N-(dimethylsulfamoyl)-2,5-difluorobenzamide
CID 118432599
4-[3-chloro-4-(trifluoromethoxy)phenoxy]-2-fluoro-N-methylsulfonyl-5-(2-propoxy-3-pyridinyl)benzamide
CID 71610529
4-[(3,4-dichlorophenoxy)methyl]-2,5-difluoro-N-methylsulfonylbenzamide
CID 66667669

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[[5-chloro-6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]oxy]-2-fluoro-N-methylsulfonylbenzamide?
The IUPAC name of 5-chloro-4-[[5-chloro-6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]oxy]-2-fluoro-N-methylsulfonylbenzamide (CID 58042409) is 5-chloro-4-[[5-chloro-6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]oxy]-2-fluoro-N-methylsulfonylbenzamide.
What is the SMILES notation for 5-chloro-4-[[5-chloro-6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]oxy]-2-fluoro-N-methylsulfonylbenzamide?
The canonical SMILES for 5-chloro-4-[[5-chloro-6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]oxy]-2-fluoro-N-methylsulfonylbenzamide is CC(C)(C)Oc1ncc(Oc2cc(F)c(C(=O)NS(C)(=O)=O)cc2Cl)cc1Cl.
What is the InChIKey of 5-chloro-4-[[5-chloro-6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]oxy]-2-fluoro-N-methylsulfonylbenzamide?
The InChIKey is OQRHQUVREJXKTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2FN2O5S/c1-17(2,3)27-16-12(19)5-9(8-21-16)26-14-7-13(20)10(6-11(14)18)15(23)22-28(4,24)25/h5-8H,1-4H3,(H,22,23).
What are the key properties of 5-chloro-4-[[5-chloro-6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]oxy]-2-fluoro-N-methylsulfonylbenzamide?
5-chloro-4-[[5-chloro-6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]oxy]-2-fluoro-N-methylsulfonylbenzamide has a molecular weight of 451.30 g/mol, XLogP of 4.19, 5 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-methylpropan-2-yl)oxy]-3-pyridinyl]oxy]-2-fluoro-N-methylsulfonylbenzamide is sourced from PubChem (CID 58042409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).