2-(3-fluoro-4-methylphenyl)sulfonyl-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide

C17H16F4N2O3S — CID 24856035

IUPAC2-(3-fluoro-4-methylphenyl)sulfonyl-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide
SMILESCc1ccc(S(=O)(=O)C(C)(C)C(=O)Nc2cccc(C(F)(F)F)n2)cc1F
InChIInChI=1S/C17H16F4N2O3S/c1-10-7-8-11(9-12(10)18)27(25,26)16(2,3)15(24)23-14-6-4-5-13(22-14)17(19,20)21/h4-9H,1-3H3,(H,22,23,24)
InChIKeyFULKVGSQHVIHER-UHFFFAOYSA-N
MW404.39 g/mol
LogP3.74
Rot. Bonds4

About 2-(3-fluoro-4-methylphenyl)sulfonyl-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide

2-(3-fluoro-4-methylphenyl)sulfonyl-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide (PubChem CID 24856035) has the molecular formula C17H16F4N2O3S and a molecular weight of 404.39 g/mol. Its IUPAC name is 2-(3-fluoro-4-methylphenyl)sulfonyl-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide.

Molecular Properties

Compound Name2-(3-fluoro-4-methylphenyl)sulfonyl-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide
PubChem CID24856035
Molecular FormulaC17H16F4N2O3S
Molecular Weight404.39 g/mol
Exact Mass404.08
IUPAC Name2-(3-fluoro-4-methylphenyl)sulfonyl-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide
SMILESCc1ccc(S(=O)(=O)C(C)(C)C(=O)Nc2cccc(C(F)(F)F)n2)cc1F
InChIInChI=1S/C17H16F4N2O3S/c1-10-7-8-11(9-12(10)18)27(25,26)16(2,3)15(24)23-14-6-4-5-13(22-14)17(19,20)21/h4-9H,1-3H3,(H,22,23,24)
InChIKeyFULKVGSQHVIHER-UHFFFAOYSA-N
XLogP3.74
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.39
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methylphenyl)sulfonyl-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide?
The IUPAC name of 2-(3-fluoro-4-methylphenyl)sulfonyl-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide (CID 24856035) is 2-(3-fluoro-4-methylphenyl)sulfonyl-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide.
What is the SMILES notation for 2-(3-fluoro-4-methylphenyl)sulfonyl-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide?
The canonical SMILES for 2-(3-fluoro-4-methylphenyl)sulfonyl-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide is Cc1ccc(S(=O)(=O)C(C)(C)C(=O)Nc2cccc(C(F)(F)F)n2)cc1F.
What is the InChIKey of 2-(3-fluoro-4-methylphenyl)sulfonyl-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide?
The InChIKey is FULKVGSQHVIHER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F4N2O3S/c1-10-7-8-11(9-12(10)18)27(25,26)16(2,3)15(24)23-14-6-4-5-13(22-14)17(19,20)21/h4-9H,1-3H3,(H,22,23,24).
What are the key properties of 2-(3-fluoro-4-methylphenyl)sulfonyl-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide?
2-(3-fluoro-4-methylphenyl)sulfonyl-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide has a molecular weight of 404.39 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methylphenyl)sulfonyl-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide is sourced from PubChem (CID 24856035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).