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

C14H12F2N2O4S — CID 66667665

IUPAC2,5-difluoro-4-[(6-methyl-2-pyridinyl)oxy]-N-methylsulfonylbenzamide
SMILESCc1cccc(Oc2cc(F)c(C(=O)NS(C)(=O)=O)cc2F)n1
InChIInChI=1S/C14H12F2N2O4S/c1-8-4-3-5-13(17-8)22-12-7-10(15)9(6-11(12)16)14(19)18-23(2,20)21/h3-7H,1-2H3,(H,18,19)
InChIKeyGEZOOTKFAKDMMU-UHFFFAOYSA-N
MW342.32 g/mol
LogP2.15
Rot. Bonds4

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

2,5-difluoro-4-[(6-methyl-2-pyridinyl)oxy]-N-methylsulfonylbenzamide (PubChem CID 66667665) has the molecular formula C14H12F2N2O4S and a molecular weight of 342.32 g/mol. Its IUPAC name is 2,5-difluoro-4-[(6-methyl-2-pyridinyl)oxy]-N-methylsulfonylbenzamide.

Molecular Properties

Compound Name2,5-difluoro-4-[(6-methyl-2-pyridinyl)oxy]-N-methylsulfonylbenzamide
PubChem CID66667665
Molecular FormulaC14H12F2N2O4S
Molecular Weight342.32 g/mol
Exact Mass342.05
IUPAC Name2,5-difluoro-4-[(6-methyl-2-pyridinyl)oxy]-N-methylsulfonylbenzamide
SMILESCc1cccc(Oc2cc(F)c(C(=O)NS(C)(=O)=O)cc2F)n1
InChIInChI=1S/C14H12F2N2O4S/c1-8-4-3-5-13(17-8)22-12-7-10(15)9(6-11(12)16)14(19)18-23(2,20)21/h3-7H,1-2H3,(H,18,19)
InChIKeyGEZOOTKFAKDMMU-UHFFFAOYSA-N
XLogP2.15
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.32
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-4-[(6-methyl-2-pyridinyl)oxy]-N-methylsulfonylbenzamide?
The IUPAC name of 2,5-difluoro-4-[(6-methyl-2-pyridinyl)oxy]-N-methylsulfonylbenzamide (CID 66667665) is 2,5-difluoro-4-[(6-methyl-2-pyridinyl)oxy]-N-methylsulfonylbenzamide.
What is the SMILES notation for 2,5-difluoro-4-[(6-methyl-2-pyridinyl)oxy]-N-methylsulfonylbenzamide?
The canonical SMILES for 2,5-difluoro-4-[(6-methyl-2-pyridinyl)oxy]-N-methylsulfonylbenzamide is Cc1cccc(Oc2cc(F)c(C(=O)NS(C)(=O)=O)cc2F)n1.
What is the InChIKey of 2,5-difluoro-4-[(6-methyl-2-pyridinyl)oxy]-N-methylsulfonylbenzamide?
The InChIKey is GEZOOTKFAKDMMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N2O4S/c1-8-4-3-5-13(17-8)22-12-7-10(15)9(6-11(12)16)14(19)18-23(2,20)21/h3-7H,1-2H3,(H,18,19).
What are the key properties of 2,5-difluoro-4-[(6-methyl-2-pyridinyl)oxy]-N-methylsulfonylbenzamide?
2,5-difluoro-4-[(6-methyl-2-pyridinyl)oxy]-N-methylsulfonylbenzamide has a molecular weight of 342.32 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-4-[(6-methyl-2-pyridinyl)oxy]-N-methylsulfonylbenzamide is sourced from PubChem (CID 66667665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).