2-methylsulfonyl-5-[4-[1-[[3-(trifluoromethyl)phenyl]methyl]azetidin-3-yl]oxyphenyl]pyridine

C23H21F3N2O3S — CID 24760741

IUPAC2-methylsulfonyl-5-[4-[1-[[3-(trifluoromethyl)phenyl]methyl]azetidin-3-yl]oxyphenyl]pyridine
SMILESCS(=O)(=O)c1ccc(-c2ccc(OC3CN(Cc4cccc(C(F)(F)F)c4)C3)cc2)cn1
InChIInChI=1S/C23H21F3N2O3S/c1-32(29,30)22-10-7-18(12-27-22)17-5-8-20(9-6-17)31-21-14-28(15-21)13-16-3-2-4-19(11-16)23(24,25)26/h2-12,21H,13-15H2,1H3
InChIKeyYPQQJZJHLSBAJQ-UHFFFAOYSA-N
MW462.49 g/mol
LogP4.43
Rot. Bonds6

About 2-methylsulfonyl-5-[4-[1-[[3-(trifluoromethyl)phenyl]methyl]azetidin-3-yl]oxyphenyl]pyridine

2-methylsulfonyl-5-[4-[1-[[3-(trifluoromethyl)phenyl]methyl]azetidin-3-yl]oxyphenyl]pyridine (PubChem CID 24760741) has the molecular formula C23H21F3N2O3S and a molecular weight of 462.49 g/mol. Its IUPAC name is 2-methylsulfonyl-5-[4-[1-[[3-(trifluoromethyl)phenyl]methyl]azetidin-3-yl]oxyphenyl]pyridine.

Molecular Properties

Compound Name2-methylsulfonyl-5-[4-[1-[[3-(trifluoromethyl)phenyl]methyl]azetidin-3-yl]oxyphenyl]pyridine
PubChem CID24760741
Molecular FormulaC23H21F3N2O3S
Molecular Weight462.49 g/mol
Exact Mass462.12
IUPAC Name2-methylsulfonyl-5-[4-[1-[[3-(trifluoromethyl)phenyl]methyl]azetidin-3-yl]oxyphenyl]pyridine
SMILESCS(=O)(=O)c1ccc(-c2ccc(OC3CN(Cc4cccc(C(F)(F)F)c4)C3)cc2)cn1
InChIInChI=1S/C23H21F3N2O3S/c1-32(29,30)22-10-7-18(12-27-22)17-5-8-20(9-6-17)31-21-14-28(15-21)13-16-3-2-4-19(11-16)23(24,25)26/h2-12,21H,13-15H2,1H3
InChIKeyYPQQJZJHLSBAJQ-UHFFFAOYSA-N
XLogP4.43
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.49
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[4-(6-methylsulfonyl-3-pyridinyl)phenoxy]azetidin-1-yl] acetate
CID 91126454
1-[[3-(trifluoromethyl)phenyl]methyl]azetidine-3-thiol
CID 86226767
4-phenoxy-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine;hydrochloride
CID 117068516
3-bromo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine
CID 80677072
2-methyl-1-[[1-[[3-(trifluoromethyl)phenyl]methyl]azetidin-3-yl]methyl]imidazole
CID 155942479
1-(3-pyridin-4-yloxyazetidin-1-yl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 155800940
4-methylsulfonyl-1-[5-[1-[[4-(trifluoromethyl)phenyl]methyl]azetidin-3-yl]oxy-2-pyridinyl]piperazin-2-one
CID 51348068
N-[[(3R)-1-[(4-cyclopropyloxyphenyl)methyl]pyrrolidin-3-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 144961584
3-(3,4-difluorophenoxy)-1-[[4-(trifluoromethyl)phenyl]methyl]azetidine
CID 134790701
1-[[4-(difluoromethoxy)phenyl]methyl]-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine
CID 171701581
1-benzyl-3-[5-chloro-2-[2-[3-(trifluoromethyl)phenyl]ethoxy]phenoxy]azetidine
CID 91014421
4-bromo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine
CID 80679005

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-5-[4-[1-[[3-(trifluoromethyl)phenyl]methyl]azetidin-3-yl]oxyphenyl]pyridine?
The IUPAC name of 2-methylsulfonyl-5-[4-[1-[[3-(trifluoromethyl)phenyl]methyl]azetidin-3-yl]oxyphenyl]pyridine (CID 24760741) is 2-methylsulfonyl-5-[4-[1-[[3-(trifluoromethyl)phenyl]methyl]azetidin-3-yl]oxyphenyl]pyridine.
What is the SMILES notation for 2-methylsulfonyl-5-[4-[1-[[3-(trifluoromethyl)phenyl]methyl]azetidin-3-yl]oxyphenyl]pyridine?
The canonical SMILES for 2-methylsulfonyl-5-[4-[1-[[3-(trifluoromethyl)phenyl]methyl]azetidin-3-yl]oxyphenyl]pyridine is CS(=O)(=O)c1ccc(-c2ccc(OC3CN(Cc4cccc(C(F)(F)F)c4)C3)cc2)cn1.
What is the InChIKey of 2-methylsulfonyl-5-[4-[1-[[3-(trifluoromethyl)phenyl]methyl]azetidin-3-yl]oxyphenyl]pyridine?
The InChIKey is YPQQJZJHLSBAJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N2O3S/c1-32(29,30)22-10-7-18(12-27-22)17-5-8-20(9-6-17)31-21-14-28(15-21)13-16-3-2-4-19(11-16)23(24,25)26/h2-12,21H,13-15H2,1H3.
What are the key properties of 2-methylsulfonyl-5-[4-[1-[[3-(trifluoromethyl)phenyl]methyl]azetidin-3-yl]oxyphenyl]pyridine?
2-methylsulfonyl-5-[4-[1-[[3-(trifluoromethyl)phenyl]methyl]azetidin-3-yl]oxyphenyl]pyridine has a molecular weight of 462.49 g/mol, XLogP of 4.43, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-5-[4-[1-[[3-(trifluoromethyl)phenyl]methyl]azetidin-3-yl]oxyphenyl]pyridine is sourced from PubChem (CID 24760741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).