3-[[2-methoxy-5-(trifluoromethoxy)phenyl]sulfonylmethyl]-5-pyridin-2-ylpyridine

C19H15F3N2O4S — CID 157422960

IUPAC3-[[2-methoxy-5-(trifluoromethoxy)phenyl]sulfonylmethyl]-5-pyridin-2-ylpyridine
SMILESCOc1ccc(OC(F)(F)F)cc1S(=O)(=O)Cc1cncc(-c2ccccn2)c1
InChIInChI=1S/C19H15F3N2O4S/c1-27-17-6-5-15(28-19(20,21)22)9-18(17)29(25,26)12-13-8-14(11-23-10-13)16-4-2-3-7-24-16/h2-11H,12H2,1H3
InChIKeyPPMPZLNZLKIYPN-UHFFFAOYSA-N
MW424.40 g/mol
LogP4.02
Rot. Bonds6

About 3-[[2-methoxy-5-(trifluoromethoxy)phenyl]sulfonylmethyl]-5-pyridin-2-ylpyridine

3-[[2-methoxy-5-(trifluoromethoxy)phenyl]sulfonylmethyl]-5-pyridin-2-ylpyridine (PubChem CID 157422960) has the molecular formula C19H15F3N2O4S and a molecular weight of 424.40 g/mol. Its IUPAC name is 3-[[2-methoxy-5-(trifluoromethoxy)phenyl]sulfonylmethyl]-5-pyridin-2-ylpyridine.

Molecular Properties

Compound Name3-[[2-methoxy-5-(trifluoromethoxy)phenyl]sulfonylmethyl]-5-pyridin-2-ylpyridine
PubChem CID157422960
Molecular FormulaC19H15F3N2O4S
Molecular Weight424.40 g/mol
Exact Mass424.07
IUPAC Name3-[[2-methoxy-5-(trifluoromethoxy)phenyl]sulfonylmethyl]-5-pyridin-2-ylpyridine
SMILESCOc1ccc(OC(F)(F)F)cc1S(=O)(=O)Cc1cncc(-c2ccccn2)c1
InChIInChI=1S/C19H15F3N2O4S/c1-27-17-6-5-15(28-19(20,21)22)9-18(17)29(25,26)12-13-8-14(11-23-10-13)16-4-2-3-7-24-16/h2-11H,12H2,1H3
InChIKeyPPMPZLNZLKIYPN-UHFFFAOYSA-N
XLogP4.02
TPSA78.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.40
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[[2-methoxy-5-(trifluoromethoxy)phenyl]sulfonylmethyl]-5-pyridin-2-ylpyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[5-[(2,5-dimethoxyphenyl)sulfonylmethyl]-3-pyridinyl]pyrimidine
CID 149046563
methyl 5-[(2,5-dimethoxyphenyl)sulfonylmethyl]pyridine-3-carboxylate
CID 148788780
5-[5-[(5-bromo-2-methoxyphenyl)sulfonylmethyl]-3-pyridinyl]-1,3-thiazole
CID 158363324
5-[(2,5-dimethoxyphenyl)sulfonylmethyl]-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide
CID 158000615
3-[(5-bromo-2-methoxyphenyl)sulfonylmethyl]-5-(2-methoxyphenyl)pyridine;3-[(5-bromo-2-methoxyphenyl)sulfonylmethyl]-5-(4-methylphenyl)pyridine;3-[(5-chloro-2-methoxyphenyl)sulfonylmethyl]-5-(2-methoxyphenyl)pyridine;bis(3-[(5-chloro-2-methoxyphenyl)sulfonylmethyl]-5-(4-methylphenyl)pyridine);3-[(2,5-dimethoxyphenyl)sulfonylmethyl]-5-(2-methoxyphenyl)pyridine;3-[(2,5-dimethoxyphenyl)sulfonylmethyl]-5-(2-methylphenyl)pyridine;3-[(2,5-dimethoxyphenyl)sulfonylmethyl]-5-(4-methylphenyl)pyridine
CID 162098999
hydron;3-(2-methylpropyl)-5-pyridin-2-ylpyridine
CID 174909931
[3-[(2,5-dimethoxyphenyl)sulfonylmethyl]quinolin-6-yl]methyl methanesulfonate
CID 157350617
2-methoxy-N-(3-pyridin-2-yl-1,2,4-thiadiazol-5-yl)-4-(trifluoromethoxy)benzamide
CID 122555372
3-prop-2-enyl-5-pyridin-2-ylpyridine
CID 91804933
cyclohexyl 5-[[2-methoxy-5-(trifluoromethoxy)phenyl]sulfonylamino]pyridine-3-carboxylate
CID 71724734
1-[2-methoxy-5-(trifluoromethoxy)phenyl]-3-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]urea
CID 126669515
(4-methoxy-3-pyridin-2-ylphenyl)methanamine
CID 82508814

Frequently Asked Questions

What is the IUPAC name of 3-[[2-methoxy-5-(trifluoromethoxy)phenyl]sulfonylmethyl]-5-pyridin-2-ylpyridine?
The IUPAC name of 3-[[2-methoxy-5-(trifluoromethoxy)phenyl]sulfonylmethyl]-5-pyridin-2-ylpyridine (CID 157422960) is 3-[[2-methoxy-5-(trifluoromethoxy)phenyl]sulfonylmethyl]-5-pyridin-2-ylpyridine.
What is the SMILES notation for 3-[[2-methoxy-5-(trifluoromethoxy)phenyl]sulfonylmethyl]-5-pyridin-2-ylpyridine?
The canonical SMILES for 3-[[2-methoxy-5-(trifluoromethoxy)phenyl]sulfonylmethyl]-5-pyridin-2-ylpyridine is COc1ccc(OC(F)(F)F)cc1S(=O)(=O)Cc1cncc(-c2ccccn2)c1.
What is the InChIKey of 3-[[2-methoxy-5-(trifluoromethoxy)phenyl]sulfonylmethyl]-5-pyridin-2-ylpyridine?
The InChIKey is PPMPZLNZLKIYPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N2O4S/c1-27-17-6-5-15(28-19(20,21)22)9-18(17)29(25,26)12-13-8-14(11-23-10-13)16-4-2-3-7-24-16/h2-11H,12H2,1H3.
What are the key properties of 3-[[2-methoxy-5-(trifluoromethoxy)phenyl]sulfonylmethyl]-5-pyridin-2-ylpyridine?
3-[[2-methoxy-5-(trifluoromethoxy)phenyl]sulfonylmethyl]-5-pyridin-2-ylpyridine has a molecular weight of 424.40 g/mol, XLogP of 4.02, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-methoxy-5-(trifluoromethoxy)phenyl]sulfonylmethyl]-5-pyridin-2-ylpyridine is sourced from PubChem (CID 157422960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).