2-fluoro-N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide

C21H18F2N2O3S — CID 21007621

IUPAC2-fluoro-N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide
SMILESCc1cc(S(=O)(=O)C(CNC(=O)c2ccccc2F)c2cccnc2)ccc1F
InChIInChI=1S/C21H18F2N2O3S/c1-14-11-16(8-9-18(14)22)29(27,28)20(15-5-4-10-24-12-15)13-25-21(26)17-6-2-3-7-19(17)23/h2-12,20H,13H2,1H3,(H,25,26)
InChIKeyVKKGWZFVOCHWSC-UHFFFAOYSA-N
MW416.45 g/mol
LogP3.61
Rot. Bonds6

About 2-fluoro-N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide

2-fluoro-N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide (PubChem CID 21007621) has the molecular formula C21H18F2N2O3S and a molecular weight of 416.45 g/mol. Its IUPAC name is 2-fluoro-N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide
PubChem CID21007621
Molecular FormulaC21H18F2N2O3S
Molecular Weight416.45 g/mol
Exact Mass416.10
IUPAC Name2-fluoro-N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide
SMILESCc1cc(S(=O)(=O)C(CNC(=O)c2ccccc2F)c2cccnc2)ccc1F
InChIInChI=1S/C21H18F2N2O3S/c1-14-11-16(8-9-18(14)22)29(27,28)20(15-5-4-10-24-12-15)13-25-21(26)17-6-2-3-7-19(17)23/h2-12,20H,13H2,1H3,(H,25,26)
InChIKeyVKKGWZFVOCHWSC-UHFFFAOYSA-N
XLogP3.61
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.45
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Gsk3787
CID 2800647
N-[3-(4-Fluorophenyl)-3-(4-methanesulfonyl-phenyl)-propyl]-nicotinamide
CID 44475062
N-[[4-[3-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide
CID 71819015
6-cyano-N-[3-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)propyl]pyridine-3-carboxamide
CID 70690881
(E)-N-[6-[3-[(4-fluorophenyl)sulfamoyl]phenyl]hexyl]-3-pyridin-3-ylprop-2-enamide
CID 155565565
2-(methylthio)-N-(3-pyridinylmethyl)benzamide
CID 1243089
2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-(pyridin-3-ylmethyl)benzamide
CID 2386434
N-ethyl-9,10,10-trioxo-N-(pyridin-4-ylmethyl)thioxanthene-3-carboxamide
CID 4626397
4-(Benzyl-methanesulfonyl-amino)-N-[2-(pyridin-2-ylsulfanyl)-ethyl]-benzamide
CID 2262896
N-(4-Fluoro-phenyl)-1-oxy-6-phenylmethanesulfonyl-nicotinamide
CID 10200147
N-(3,5-dimethylphenyl)-2-(pyridin-4-ylmethylsulfanyl)benzamide
CID 10472953
3-[(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide
CID 17617945

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide?
The IUPAC name of 2-fluoro-N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide (CID 21007621) is 2-fluoro-N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide?
The canonical SMILES for 2-fluoro-N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide is Cc1cc(S(=O)(=O)C(CNC(=O)c2ccccc2F)c2cccnc2)ccc1F.
What is the InChIKey of 2-fluoro-N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide?
The InChIKey is VKKGWZFVOCHWSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2N2O3S/c1-14-11-16(8-9-18(14)22)29(27,28)20(15-5-4-10-24-12-15)13-25-21(26)17-6-2-3-7-19(17)23/h2-12,20H,13H2,1H3,(H,25,26).
What are the key properties of 2-fluoro-N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide?
2-fluoro-N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide has a molecular weight of 416.45 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide is sourced from PubChem (CID 21007621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).