3,5-difluoro-4-(methylamino)-N-(2-methylsulfonylethyl)benzamide

C11H14F2N2O3S — CID 63183539

IUPAC3,5-difluoro-4-(methylamino)-N-(2-methylsulfonylethyl)benzamide
SMILESCNc1c(F)cc(C(=O)NCCS(C)(=O)=O)cc1F
InChIInChI=1S/C11H14F2N2O3S/c1-14-10-8(12)5-7(6-9(10)13)11(16)15-3-4-19(2,17)18/h5-6,14H,3-4H2,1-2H3,(H,15,16)
InChIKeyFTKLZJVGUPNKFN-UHFFFAOYSA-N
MW292.31 g/mol
LogP0.78
Rot. Bonds5

About 3,5-difluoro-4-(methylamino)-N-(2-methylsulfonylethyl)benzamide

3,5-difluoro-4-(methylamino)-N-(2-methylsulfonylethyl)benzamide (PubChem CID 63183539) has the molecular formula C11H14F2N2O3S and a molecular weight of 292.31 g/mol. Its IUPAC name is 3,5-difluoro-4-(methylamino)-N-(2-methylsulfonylethyl)benzamide.

Molecular Properties

Compound Name3,5-difluoro-4-(methylamino)-N-(2-methylsulfonylethyl)benzamide
PubChem CID63183539
Molecular FormulaC11H14F2N2O3S
Molecular Weight292.31 g/mol
Exact Mass292.07
IUPAC Name3,5-difluoro-4-(methylamino)-N-(2-methylsulfonylethyl)benzamide
SMILESCNc1c(F)cc(C(=O)NCCS(C)(=O)=O)cc1F
InChIInChI=1S/C11H14F2N2O3S/c1-14-10-8(12)5-7(6-9(10)13)11(16)15-3-4-19(2,17)18/h5-6,14H,3-4H2,1-2H3,(H,15,16)
InChIKeyFTKLZJVGUPNKFN-UHFFFAOYSA-N
XLogP0.78
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-difluoro-4-(methylamino)-N-pentylbenzamide
CID 63183966
3,5-difluoro-4-hydrazinyl-N-[2-(methylsulfamoyl)ethyl]benzamide
CID 106340860
3,5-dichloro-N-(2-methylsulfonylethyl)benzamide
CID 47230479
3,5-difluoro-4-(methylamino)-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 63184958
3,5-difluoro-4-(methylamino)-N-(2-pyridin-4-ylethyl)benzamide
CID 63185327
3,5-difluoro-4-(methylamino)-N-(3-propoxypropyl)benzamide
CID 82946466
N-(3-cyclopentylpropyl)-3,5-difluoro-4-(methylamino)benzamide
CID 106015415
2,3-difluoro-N-(2-methylsulfonylethyl)benzamide
CID 62650533
3,5-difluoro-N-[2-(1H-imidazol-5-yl)ethyl]-4-(methylamino)benzamide
CID 65236987
3,5-difluoro-N-(2-imidazol-1-ylethyl)-4-(methylamino)benzamide
CID 63185767
N-[(4-chlorophenyl)methyl]-3,5-difluoro-4-(methylamino)benzamide
CID 63183628
3,5-difluoro-4-(methylamino)-N-pentan-3-ylbenzamide
CID 55157890

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-4-(methylamino)-N-(2-methylsulfonylethyl)benzamide?
The IUPAC name of 3,5-difluoro-4-(methylamino)-N-(2-methylsulfonylethyl)benzamide (CID 63183539) is 3,5-difluoro-4-(methylamino)-N-(2-methylsulfonylethyl)benzamide.
What is the SMILES notation for 3,5-difluoro-4-(methylamino)-N-(2-methylsulfonylethyl)benzamide?
The canonical SMILES for 3,5-difluoro-4-(methylamino)-N-(2-methylsulfonylethyl)benzamide is CNc1c(F)cc(C(=O)NCCS(C)(=O)=O)cc1F.
What is the InChIKey of 3,5-difluoro-4-(methylamino)-N-(2-methylsulfonylethyl)benzamide?
The InChIKey is FTKLZJVGUPNKFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O3S/c1-14-10-8(12)5-7(6-9(10)13)11(16)15-3-4-19(2,17)18/h5-6,14H,3-4H2,1-2H3,(H,15,16).
What are the key properties of 3,5-difluoro-4-(methylamino)-N-(2-methylsulfonylethyl)benzamide?
3,5-difluoro-4-(methylamino)-N-(2-methylsulfonylethyl)benzamide has a molecular weight of 292.31 g/mol, XLogP of 0.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-4-(methylamino)-N-(2-methylsulfonylethyl)benzamide is sourced from PubChem (CID 63183539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).