2,5-difluoro-4-[(6-methoxy-3-pyridinyl)oxy]-N-methylsulfonylbenzamide

C14H12F2N2O5S — CID 66666992

IUPAC2,5-difluoro-4-[(6-methoxy-3-pyridinyl)oxy]-N-methylsulfonylbenzamide
SMILESCOc1ccc(Oc2cc(F)c(C(=O)NS(C)(=O)=O)cc2F)cn1
InChIInChI=1S/C14H12F2N2O5S/c1-22-13-4-3-8(7-17-13)23-12-6-10(15)9(5-11(12)16)14(19)18-24(2,20)21/h3-7H,1-2H3,(H,18,19)
InChIKeyUPZBOXXDBPJJLJ-UHFFFAOYSA-N
MW358.32 g/mol
LogP1.85
Rot. Bonds5

About 2,5-difluoro-4-[(6-methoxy-3-pyridinyl)oxy]-N-methylsulfonylbenzamide

2,5-difluoro-4-[(6-methoxy-3-pyridinyl)oxy]-N-methylsulfonylbenzamide (PubChem CID 66666992) has the molecular formula C14H12F2N2O5S and a molecular weight of 358.32 g/mol. Its IUPAC name is 2,5-difluoro-4-[(6-methoxy-3-pyridinyl)oxy]-N-methylsulfonylbenzamide.

Molecular Properties

Compound Name2,5-difluoro-4-[(6-methoxy-3-pyridinyl)oxy]-N-methylsulfonylbenzamide
PubChem CID66666992
Molecular FormulaC14H12F2N2O5S
Molecular Weight358.32 g/mol
Exact Mass358.04
IUPAC Name2,5-difluoro-4-[(6-methoxy-3-pyridinyl)oxy]-N-methylsulfonylbenzamide
SMILESCOc1ccc(Oc2cc(F)c(C(=O)NS(C)(=O)=O)cc2F)cn1
InChIInChI=1S/C14H12F2N2O5S/c1-22-13-4-3-8(7-17-13)23-12-6-10(15)9(5-11(12)16)14(19)18-24(2,20)21/h3-7H,1-2H3,(H,18,19)
InChIKeyUPZBOXXDBPJJLJ-UHFFFAOYSA-N
XLogP1.85
TPSA94.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.32
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,5-difluoro-N-methylsulfonyl-4-quinazolin-2-yloxybenzamide
CID 66667368
4-(3-chlorophenoxy)-2,5-difluoro-N-methylsulfonylbenzamide
CID 66767003
4-(2,3-dichlorophenoxy)-2,5-difluoro-N-methylsulfonylbenzamide
CID 66667432
5-chloro-4-[[5-chloro-6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]oxy]-2-fluoro-N-methylsulfonylbenzamide
CID 58042409
4-[(3,4-dichlorophenoxy)methyl]-2,5-difluoro-N-methylsulfonylbenzamide
CID 66667669
4-[4-chloro-3-(trifluoromethyl)phenoxy]-2-fluoro-5-methyl-N-methylsulfonylbenzamide
CID 56592533
4-[[5-chloro-6-[methyl(propan-2-yl)amino]-3-pyridinyl]oxy]-N-(dimethylsulfamoyl)-2,5-difluorobenzamide
CID 118432599
4-[(5-chloro-6-fluoro-3-pyridinyl)oxymethyl]-2,5-difluoro-N-methylsulfonylbenzamide
CID 56644572
5-(2-ethoxy-3-pyridinyl)-2-fluoro-N-methylsulfonyl-4-[4-(trifluoromethyl)phenoxy]benzamide
CID 71612521
4-[5-chloro-6-(3-chloro-2-methylphenoxy)-3-pyridinyl]-2-fluoro-5-methoxy-N-methylsulfonylbenzamide
CID 91884603
4-[(5-chloro-6-pyrrolidin-1-yl-3-pyridinyl)oxy]-N-(dimethylsulfamoyl)-2,5-difluorobenzamide
CID 118432601
4-[5-chloro-6-(2,4,6-trichlorophenoxy)-3-pyridinyl]-2,5-difluoro-N-methylsulfonylbenzamide
CID 122422604

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-4-[(6-methoxy-3-pyridinyl)oxy]-N-methylsulfonylbenzamide?
The IUPAC name of 2,5-difluoro-4-[(6-methoxy-3-pyridinyl)oxy]-N-methylsulfonylbenzamide (CID 66666992) is 2,5-difluoro-4-[(6-methoxy-3-pyridinyl)oxy]-N-methylsulfonylbenzamide.
What is the SMILES notation for 2,5-difluoro-4-[(6-methoxy-3-pyridinyl)oxy]-N-methylsulfonylbenzamide?
The canonical SMILES for 2,5-difluoro-4-[(6-methoxy-3-pyridinyl)oxy]-N-methylsulfonylbenzamide is COc1ccc(Oc2cc(F)c(C(=O)NS(C)(=O)=O)cc2F)cn1.
What is the InChIKey of 2,5-difluoro-4-[(6-methoxy-3-pyridinyl)oxy]-N-methylsulfonylbenzamide?
The InChIKey is UPZBOXXDBPJJLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N2O5S/c1-22-13-4-3-8(7-17-13)23-12-6-10(15)9(5-11(12)16)14(19)18-24(2,20)21/h3-7H,1-2H3,(H,18,19).
What are the key properties of 2,5-difluoro-4-[(6-methoxy-3-pyridinyl)oxy]-N-methylsulfonylbenzamide?
2,5-difluoro-4-[(6-methoxy-3-pyridinyl)oxy]-N-methylsulfonylbenzamide has a molecular weight of 358.32 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-4-[(6-methoxy-3-pyridinyl)oxy]-N-methylsulfonylbenzamide is sourced from PubChem (CID 66666992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).