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

C17H16F4N2O4S — CID 24856004

IUPAC2-(3-fluoro-4-methoxyphenyl)sulfonyl-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide
SMILESCOc1ccc(S(=O)(=O)C(C)(C)C(=O)Nc2cccc(C(F)(F)F)n2)cc1F
InChIInChI=1S/C17H16F4N2O4S/c1-16(2,28(25,26)10-7-8-12(27-3)11(18)9-10)15(24)23-14-6-4-5-13(22-14)17(19,20)21/h4-9H,1-3H3,(H,22,23,24)
InChIKeyXHULLHBKRJZBNB-UHFFFAOYSA-N
MW420.38 g/mol
LogP3.44
Rot. Bonds5

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

2-(3-fluoro-4-methoxyphenyl)sulfonyl-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide (PubChem CID 24856004) has the molecular formula C17H16F4N2O4S and a molecular weight of 420.38 g/mol. Its IUPAC name is 2-(3-fluoro-4-methoxyphenyl)sulfonyl-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide.

Molecular Properties

Compound Name2-(3-fluoro-4-methoxyphenyl)sulfonyl-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide
PubChem CID24856004
Molecular FormulaC17H16F4N2O4S
Molecular Weight420.38 g/mol
Exact Mass420.08
IUPAC Name2-(3-fluoro-4-methoxyphenyl)sulfonyl-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide
SMILESCOc1ccc(S(=O)(=O)C(C)(C)C(=O)Nc2cccc(C(F)(F)F)n2)cc1F
InChIInChI=1S/C17H16F4N2O4S/c1-16(2,28(25,26)10-7-8-12(27-3)11(18)9-10)15(24)23-14-6-4-5-13(22-14)17(19,20)21/h4-9H,1-3H3,(H,22,23,24)
InChIKeyXHULLHBKRJZBNB-UHFFFAOYSA-N
XLogP3.44
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.38
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methoxyphenyl)sulfonyl-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide?
The IUPAC name of 2-(3-fluoro-4-methoxyphenyl)sulfonyl-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide (CID 24856004) is 2-(3-fluoro-4-methoxyphenyl)sulfonyl-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide.
What is the SMILES notation for 2-(3-fluoro-4-methoxyphenyl)sulfonyl-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide?
The canonical SMILES for 2-(3-fluoro-4-methoxyphenyl)sulfonyl-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide is COc1ccc(S(=O)(=O)C(C)(C)C(=O)Nc2cccc(C(F)(F)F)n2)cc1F.
What is the InChIKey of 2-(3-fluoro-4-methoxyphenyl)sulfonyl-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide?
The InChIKey is XHULLHBKRJZBNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F4N2O4S/c1-16(2,28(25,26)10-7-8-12(27-3)11(18)9-10)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-methoxyphenyl)sulfonyl-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide?
2-(3-fluoro-4-methoxyphenyl)sulfonyl-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide has a molecular weight of 420.38 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methoxyphenyl)sulfonyl-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide is sourced from PubChem (CID 24856004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).