2-[2-(4-methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]ethyl]sulfonylpyridine

C21H18F3NO3S — CID 162539208

IUPAC2-[2-(4-methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]ethyl]sulfonylpyridine
SMILESCOc1ccc(C(CS(=O)(=O)c2ccccn2)c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C21H18F3NO3S/c1-28-18-11-7-16(8-12-18)19(14-29(26,27)20-4-2-3-13-25-20)15-5-9-17(10-6-15)21(22,23)24/h2-13,19H,14H2,1H3
InChIKeyOMCHVZULLKPGMB-UHFFFAOYSA-N
MW421.44 g/mol
LogP4.71
Rot. Bonds6

About 2-[2-(4-methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]ethyl]sulfonylpyridine

2-[2-(4-methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]ethyl]sulfonylpyridine (PubChem CID 162539208) has the molecular formula C21H18F3NO3S and a molecular weight of 421.44 g/mol. Its IUPAC name is 2-[2-(4-methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]ethyl]sulfonylpyridine.

Molecular Properties

Compound Name2-[2-(4-methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]ethyl]sulfonylpyridine
PubChem CID162539208
Molecular FormulaC21H18F3NO3S
Molecular Weight421.44 g/mol
Exact Mass421.10
IUPAC Name2-[2-(4-methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]ethyl]sulfonylpyridine
SMILESCOc1ccc(C(CS(=O)(=O)c2ccccn2)c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C21H18F3NO3S/c1-28-18-11-7-16(8-12-18)19(14-29(26,27)20-4-2-3-13-25-20)15-5-9-17(10-6-15)21(22,23)24/h2-13,19H,14H2,1H3
InChIKeyOMCHVZULLKPGMB-UHFFFAOYSA-N
XLogP4.71
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.44
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2S)-2-[4-(trifluoromethyl)phenyl]butyl]sulfonylpyridine
CID 102171414
2-[4-(trifluoromethyl)phenyl]sulfonylpyridine
CID 134863771
(1S,5S)-5-(4-methoxyphenyl)-1-[4-(trifluoromethyl)phenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]hexan-3-one
CID 149138242
2-propan-2-ylpyridine;1-propan-2-yl-4-(trifluoromethyl)benzene
CID 162046659
(2R)-1-phenoxy-3-pyridin-2-ylsulfonylpropan-2-ol
CID 685739
(2S)-2-(4-methoxyphenyl)sulfonyl-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 9168217
[4-[pyridin-2-yl-[4-(trifluoromethyl)phenyl]methyl]phenyl] acetate
CID 162673252
2-(4-methoxyphenyl)-2-pyrimidin-2-ylethanamine
CID 82040389
methyl N-[2-(4-methoxyphenyl)-2-pyridin-2-ylethyl]carbamate
CID 16928325
1,1,1-trifluoro-2-(4-methoxyphenyl)-4,4-diphenylbutan-2-ol
CID 168720238
ethane;pyridin-2-yl-[4-(trifluoromethyl)phenyl]methanamine
CID 145107737
(3S)-3-(4-methoxyphenyl)-3-phenyl-N-(pyridin-2-ylmethyl)propanamide
CID 26404777

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]ethyl]sulfonylpyridine?
The IUPAC name of 2-[2-(4-methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]ethyl]sulfonylpyridine (CID 162539208) is 2-[2-(4-methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]ethyl]sulfonylpyridine.
What is the SMILES notation for 2-[2-(4-methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]ethyl]sulfonylpyridine?
The canonical SMILES for 2-[2-(4-methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]ethyl]sulfonylpyridine is COc1ccc(C(CS(=O)(=O)c2ccccn2)c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of 2-[2-(4-methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]ethyl]sulfonylpyridine?
The InChIKey is OMCHVZULLKPGMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3NO3S/c1-28-18-11-7-16(8-12-18)19(14-29(26,27)20-4-2-3-13-25-20)15-5-9-17(10-6-15)21(22,23)24/h2-13,19H,14H2,1H3.
What are the key properties of 2-[2-(4-methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]ethyl]sulfonylpyridine?
2-[2-(4-methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]ethyl]sulfonylpyridine has a molecular weight of 421.44 g/mol, XLogP of 4.71, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]ethyl]sulfonylpyridine is sourced from PubChem (CID 162539208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).