5-methylsulfonyl-2-[4-(trifluoromethylsulfanyl)phenoxy]pyridine

C13H10F3NO3S2 — CID 13102690

IUPAC5-methylsulfonyl-2-[4-(trifluoromethylsulfanyl)phenoxy]pyridine
SMILESCS(=O)(=O)c1ccc(Oc2ccc(SC(F)(F)F)cc2)nc1
InChIInChI=1S/C13H10F3NO3S2/c1-22(18,19)11-6-7-12(17-8-11)20-9-2-4-10(5-3-9)21-13(14,15)16/h2-8H,1H3
InChIKeyMCPITRXNROMMGT-UHFFFAOYSA-N
MW349.36 g/mol
LogP3.89
Rot. Bonds4

About 5-methylsulfonyl-2-[4-(trifluoromethylsulfanyl)phenoxy]pyridine

5-methylsulfonyl-2-[4-(trifluoromethylsulfanyl)phenoxy]pyridine (PubChem CID 13102690) has the molecular formula C13H10F3NO3S2 and a molecular weight of 349.36 g/mol. Its IUPAC name is 5-methylsulfonyl-2-[4-(trifluoromethylsulfanyl)phenoxy]pyridine.

Molecular Properties

Compound Name5-methylsulfonyl-2-[4-(trifluoromethylsulfanyl)phenoxy]pyridine
PubChem CID13102690
Molecular FormulaC13H10F3NO3S2
Molecular Weight349.36 g/mol
Exact Mass349.01
IUPAC Name5-methylsulfonyl-2-[4-(trifluoromethylsulfanyl)phenoxy]pyridine
SMILESCS(=O)(=O)c1ccc(Oc2ccc(SC(F)(F)F)cc2)nc1
InChIInChI=1S/C13H10F3NO3S2/c1-22(18,19)11-6-7-12(17-8-11)20-9-2-4-10(5-3-9)21-13(14,15)16/h2-8H,1H3
InChIKeyMCPITRXNROMMGT-UHFFFAOYSA-N
XLogP3.89
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.36
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methylsulfonyl-2-[4-(trifluoromethylsulfanyl)phenoxy]pyridine?
The IUPAC name of 5-methylsulfonyl-2-[4-(trifluoromethylsulfanyl)phenoxy]pyridine (CID 13102690) is 5-methylsulfonyl-2-[4-(trifluoromethylsulfanyl)phenoxy]pyridine.
What is the SMILES notation for 5-methylsulfonyl-2-[4-(trifluoromethylsulfanyl)phenoxy]pyridine?
The canonical SMILES for 5-methylsulfonyl-2-[4-(trifluoromethylsulfanyl)phenoxy]pyridine is CS(=O)(=O)c1ccc(Oc2ccc(SC(F)(F)F)cc2)nc1.
What is the InChIKey of 5-methylsulfonyl-2-[4-(trifluoromethylsulfanyl)phenoxy]pyridine?
The InChIKey is MCPITRXNROMMGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3NO3S2/c1-22(18,19)11-6-7-12(17-8-11)20-9-2-4-10(5-3-9)21-13(14,15)16/h2-8H,1H3.
What are the key properties of 5-methylsulfonyl-2-[4-(trifluoromethylsulfanyl)phenoxy]pyridine?
5-methylsulfonyl-2-[4-(trifluoromethylsulfanyl)phenoxy]pyridine has a molecular weight of 349.36 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfonyl-2-[4-(trifluoromethylsulfanyl)phenoxy]pyridine is sourced from PubChem (CID 13102690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).