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

C17H17F3N2O4S — CID 24855755

IUPAC2-(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)cc1
InChIInChI=1S/C17H17F3N2O4S/c1-16(2,27(24,25)12-9-7-11(26-3)8-10-12)15(23)22-14-6-4-5-13(21-14)17(18,19)20/h4-10H,1-3H3,(H,21,22,23)
InChIKeyHMGAHIRKLFOJFV-UHFFFAOYSA-N
MW402.39 g/mol
LogP3.30
Rot. Bonds5

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

2-(4-methoxyphenyl)sulfonyl-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide (PubChem CID 24855755) has the molecular formula C17H17F3N2O4S and a molecular weight of 402.39 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)sulfonyl-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)sulfonyl-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide
PubChem CID24855755
Molecular FormulaC17H17F3N2O4S
Molecular Weight402.39 g/mol
Exact Mass402.09
IUPAC Name2-(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)cc1
InChIInChI=1S/C17H17F3N2O4S/c1-16(2,27(24,25)12-9-7-11(26-3)8-10-12)15(23)22-14-6-4-5-13(21-14)17(18,19)20/h4-10H,1-3H3,(H,21,22,23)
InChIKeyHMGAHIRKLFOJFV-UHFFFAOYSA-N
XLogP3.30
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.39
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)sulfonyl-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide?
The IUPAC name of 2-(4-methoxyphenyl)sulfonyl-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide (CID 24855755) is 2-(4-methoxyphenyl)sulfonyl-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide.
What is the SMILES notation for 2-(4-methoxyphenyl)sulfonyl-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide?
The canonical SMILES for 2-(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)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)sulfonyl-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide?
The InChIKey is HMGAHIRKLFOJFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O4S/c1-16(2,27(24,25)12-9-7-11(26-3)8-10-12)15(23)22-14-6-4-5-13(21-14)17(18,19)20/h4-10H,1-3H3,(H,21,22,23).
What are the key properties of 2-(4-methoxyphenyl)sulfonyl-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide?
2-(4-methoxyphenyl)sulfonyl-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide has a molecular weight of 402.39 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)sulfonyl-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide is sourced from PubChem (CID 24855755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).