3-methoxy-5-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]-2-(trifluoromethyl)pyridine

C19H18F3NO3S — CID 22917358

IUPAC3-methoxy-5-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]-2-(trifluoromethyl)pyridine
SMILESCOc1cc(C2=C(c3ccc(S(C)(=O)=O)cc3)CCC2)cnc1C(F)(F)F
InChIInChI=1S/C19H18F3NO3S/c1-26-17-10-13(11-23-18(17)19(20,21)22)16-5-3-4-15(16)12-6-8-14(9-7-12)27(2,24)25/h6-11H,3-5H2,1-2H3
InChIKeyQDZVOGIIPOVWBK-UHFFFAOYSA-N
MW397.42 g/mol
LogP4.61
Rot. Bonds4

About 3-methoxy-5-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]-2-(trifluoromethyl)pyridine

3-methoxy-5-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]-2-(trifluoromethyl)pyridine (PubChem CID 22917358) has the molecular formula C19H18F3NO3S and a molecular weight of 397.42 g/mol. Its IUPAC name is 3-methoxy-5-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-methoxy-5-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]-2-(trifluoromethyl)pyridine
PubChem CID22917358
Molecular FormulaC19H18F3NO3S
Molecular Weight397.42 g/mol
Exact Mass397.10
IUPAC Name3-methoxy-5-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]-2-(trifluoromethyl)pyridine
SMILESCOc1cc(C2=C(c3ccc(S(C)(=O)=O)cc3)CCC2)cnc1C(F)(F)F
InChIInChI=1S/C19H18F3NO3S/c1-26-17-10-13(11-23-18(17)19(20,21)22)16-5-3-4-15(16)12-6-8-14(9-7-12)27(2,24)25/h6-11H,3-5H2,1-2H3
InChIKeyQDZVOGIIPOVWBK-UHFFFAOYSA-N
XLogP4.61
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.42
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-Methanesulfonyl-phenyl)-5,5-dimethyl-3-(pyridin-3-yloxy)-5H-furan-2-one
CID 15461527
1-[3-(4-Methanesulfonyl-phenyl)-5-trifluoromethyl-pyridin-2-yloxy]-2-methyl-propan-2-ol
CID 15887860
3-(4-Methylsulfonylphenyl)-2-phenoxy-5-(trifluoromethyl)pyridine
CID 44292803
3-(4-Methanesulfonyl-phenyl)-2-(2,2,2-trifluoro-ethoxy)-5-trifluoromethyl-pyridine
CID 44293185
3-(4-Methanesulfonyl-phenyl)-5-trifluoromethyl-2-(2,2,2-trifluoro-1-trifluoromethyl-ethoxy)-pyridine
CID 44293290
(E)-2-(4-fluoro-2-methoxystyryl)-5-(2-fluorophenylsulfonyl)pyridine
CID 44439384
US9499502, 27bn-a
CID 90137899
3-(6-Methoxy-3-pyridyl)-5-(4-methylsulfonylphenyl)-2-(trifluoromethyl)pyridine
CID 72711829
[4-[3-(Fluoromethoxy)-2-pyridinyl]phenyl]-imino-methyl-oxo-lambda6-sulfane
CID 168289625
2-[(E)-2-[(5-methoxy-2-pyridinyl)sulfonyl]ethenyl]-3-(trifluoromethyl)pyridine
CID 172439337
5-methoxy-2-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]sulfonylpyridine
CID 172442977
2-[(E)-2-(2-fluorophenyl)ethenyl]sulfonyl-3-methoxypyridine
CID 172443968

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-5-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]-2-(trifluoromethyl)pyridine?
The IUPAC name of 3-methoxy-5-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]-2-(trifluoromethyl)pyridine (CID 22917358) is 3-methoxy-5-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-methoxy-5-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]-2-(trifluoromethyl)pyridine?
The canonical SMILES for 3-methoxy-5-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]-2-(trifluoromethyl)pyridine is COc1cc(C2=C(c3ccc(S(C)(=O)=O)cc3)CCC2)cnc1C(F)(F)F.
What is the InChIKey of 3-methoxy-5-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]-2-(trifluoromethyl)pyridine?
The InChIKey is QDZVOGIIPOVWBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3NO3S/c1-26-17-10-13(11-23-18(17)19(20,21)22)16-5-3-4-15(16)12-6-8-14(9-7-12)27(2,24)25/h6-11H,3-5H2,1-2H3.
What are the key properties of 3-methoxy-5-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]-2-(trifluoromethyl)pyridine?
3-methoxy-5-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]-2-(trifluoromethyl)pyridine has a molecular weight of 397.42 g/mol, XLogP of 4.61, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-5-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 22917358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).