3-(4-ethylphenyl)-6-methoxy-4-(4-methylsulfonylphenyl)-2-(trifluoromethyl)pyridine

C22H20F3NO3S — CID 23355281

IUPAC3-(4-ethylphenyl)-6-methoxy-4-(4-methylsulfonylphenyl)-2-(trifluoromethyl)pyridine
SMILESCCc1ccc(-c2c(-c3ccc(S(C)(=O)=O)cc3)cc(OC)nc2C(F)(F)F)cc1
InChIInChI=1S/C22H20F3NO3S/c1-4-14-5-7-16(8-6-14)20-18(13-19(29-2)26-21(20)22(23,24)25)15-9-11-17(12-10-15)30(3,27)28/h5-13H,4H2,1-3H3
InChIKeyGKUBEULELXHJTC-UHFFFAOYSA-N
MW435.47 g/mol
LogP5.41
Rot. Bonds5

About 3-(4-ethylphenyl)-6-methoxy-4-(4-methylsulfonylphenyl)-2-(trifluoromethyl)pyridine

3-(4-ethylphenyl)-6-methoxy-4-(4-methylsulfonylphenyl)-2-(trifluoromethyl)pyridine (PubChem CID 23355281) has the molecular formula C22H20F3NO3S and a molecular weight of 435.47 g/mol. Its IUPAC name is 3-(4-ethylphenyl)-6-methoxy-4-(4-methylsulfonylphenyl)-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-(4-ethylphenyl)-6-methoxy-4-(4-methylsulfonylphenyl)-2-(trifluoromethyl)pyridine
PubChem CID23355281
Molecular FormulaC22H20F3NO3S
Molecular Weight435.47 g/mol
Exact Mass435.11
IUPAC Name3-(4-ethylphenyl)-6-methoxy-4-(4-methylsulfonylphenyl)-2-(trifluoromethyl)pyridine
SMILESCCc1ccc(-c2c(-c3ccc(S(C)(=O)=O)cc3)cc(OC)nc2C(F)(F)F)cc1
InChIInChI=1S/C22H20F3NO3S/c1-4-14-5-7-16(8-6-14)20-18(13-19(29-2)26-21(20)22(23,24)25)15-9-11-17(12-10-15)30(3,27)28/h5-13H,4H2,1-3H3
InChIKeyGKUBEULELXHJTC-UHFFFAOYSA-N
XLogP5.41
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.47
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1,2-difluoro-1-[6-methoxy-4-(4-methylsulfonylphenyl)-3-(4-phosphanylphenyl)-2-pyridinyl]ethyl]phosphane
CID 143004384
6-ethoxy-3-(4-fluorocyclohexa-1,3-dien-1-yl)-4-(4-methylsulfonylphenyl)-2-(trifluoromethyl)pyridine
CID 143008915
[difluoro-[3-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-6-propoxy-2-pyridinyl]methyl]phosphane;ethane
CID 142820889
1-ethyl-4-methylsulfonylbenzene
CID 143759723
6-(4-ethylphenyl)-2-methoxy-5-(4-methylsulfonylphenyl)pyridine-3-carbonitrile
CID 70271927
3-(4-fluorophenyl)-6-(4-methoxyphenyl)-4-(4-methylsulfonylphenyl)pyran-2-one
CID 11178448
2-(4-ethylphenyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-4H-imidazol-5-ol
CID 22998091
2-ethyl-6-methylsulfonylnaphthalene
CID 67478428
4-(6-methoxy-3-pyridinyl)-3-(4-methylsulfonylphenyl)pyridin-2-amine
CID 123572941
2-[4-methoxy-3-(4-methylsulfonylphenyl)phenyl]acetic acid
CID 176513646
6,7-dimethoxy-2-[4-(4-methylsulfonylphenyl)pyrazol-1-yl]-4-(trifluoromethyl)quinazoline
CID 178107776
ethane;1-methoxy-4-(4-methylsulfonylphenyl)benzene
CID 178021932

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylphenyl)-6-methoxy-4-(4-methylsulfonylphenyl)-2-(trifluoromethyl)pyridine?
The IUPAC name of 3-(4-ethylphenyl)-6-methoxy-4-(4-methylsulfonylphenyl)-2-(trifluoromethyl)pyridine (CID 23355281) is 3-(4-ethylphenyl)-6-methoxy-4-(4-methylsulfonylphenyl)-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-(4-ethylphenyl)-6-methoxy-4-(4-methylsulfonylphenyl)-2-(trifluoromethyl)pyridine?
The canonical SMILES for 3-(4-ethylphenyl)-6-methoxy-4-(4-methylsulfonylphenyl)-2-(trifluoromethyl)pyridine is CCc1ccc(-c2c(-c3ccc(S(C)(=O)=O)cc3)cc(OC)nc2C(F)(F)F)cc1.
What is the InChIKey of 3-(4-ethylphenyl)-6-methoxy-4-(4-methylsulfonylphenyl)-2-(trifluoromethyl)pyridine?
The InChIKey is GKUBEULELXHJTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3NO3S/c1-4-14-5-7-16(8-6-14)20-18(13-19(29-2)26-21(20)22(23,24)25)15-9-11-17(12-10-15)30(3,27)28/h5-13H,4H2,1-3H3.
What are the key properties of 3-(4-ethylphenyl)-6-methoxy-4-(4-methylsulfonylphenyl)-2-(trifluoromethyl)pyridine?
3-(4-ethylphenyl)-6-methoxy-4-(4-methylsulfonylphenyl)-2-(trifluoromethyl)pyridine has a molecular weight of 435.47 g/mol, XLogP of 5.41, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylphenyl)-6-methoxy-4-(4-methylsulfonylphenyl)-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 23355281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).