2-(difluoromethoxy)-5-methylsulfonylbenzamide

C9H9F2NO4S — CID 172840939

IUPAC2-(difluoromethoxy)-5-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1ccc(OC(F)F)c(C(N)=O)c1
InChIInChI=1S/C9H9F2NO4S/c1-17(14,15)5-2-3-7(16-9(10)11)6(4-5)8(12)13/h2-4,9H,1H3,(H2,12,13)
InChIKeyWUBLEFRGIWNXFH-UHFFFAOYSA-N
MW265.24 g/mol
LogP0.79
Rot. Bonds4

About 2-(difluoromethoxy)-5-methylsulfonylbenzamide

2-(difluoromethoxy)-5-methylsulfonylbenzamide (PubChem CID 172840939) has the molecular formula C9H9F2NO4S and a molecular weight of 265.24 g/mol. Its IUPAC name is 2-(difluoromethoxy)-5-methylsulfonylbenzamide.

Molecular Properties

Compound Name2-(difluoromethoxy)-5-methylsulfonylbenzamide
PubChem CID172840939
Molecular FormulaC9H9F2NO4S
Molecular Weight265.24 g/mol
Exact Mass265.02
IUPAC Name2-(difluoromethoxy)-5-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1ccc(OC(F)F)c(C(N)=O)c1
InChIInChI=1S/C9H9F2NO4S/c1-17(14,15)5-2-3-7(16-9(10)11)6(4-5)8(12)13/h2-4,9H,1H3,(H2,12,13)
InChIKeyWUBLEFRGIWNXFH-UHFFFAOYSA-N
XLogP0.79
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.24
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-5-methylsulfonylbenzamide?
The IUPAC name of 2-(difluoromethoxy)-5-methylsulfonylbenzamide (CID 172840939) is 2-(difluoromethoxy)-5-methylsulfonylbenzamide.
What is the SMILES notation for 2-(difluoromethoxy)-5-methylsulfonylbenzamide?
The canonical SMILES for 2-(difluoromethoxy)-5-methylsulfonylbenzamide is CS(=O)(=O)c1ccc(OC(F)F)c(C(N)=O)c1.
What is the InChIKey of 2-(difluoromethoxy)-5-methylsulfonylbenzamide?
The InChIKey is WUBLEFRGIWNXFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2NO4S/c1-17(14,15)5-2-3-7(16-9(10)11)6(4-5)8(12)13/h2-4,9H,1H3,(H2,12,13).
What are the key properties of 2-(difluoromethoxy)-5-methylsulfonylbenzamide?
2-(difluoromethoxy)-5-methylsulfonylbenzamide has a molecular weight of 265.24 g/mol, XLogP of 0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-5-methylsulfonylbenzamide is sourced from PubChem (CID 172840939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).