5-tert-butyl-2-(2-fluorophenoxy)-4-methylsulfonylpyridine

C16H18FNO3S — CID 165371953

IUPAC5-tert-butyl-2-(2-fluorophenoxy)-4-methylsulfonylpyridine
SMILESCC(C)(C)c1cnc(Oc2ccccc2F)cc1S(C)(=O)=O
InChIInChI=1S/C16H18FNO3S/c1-16(2,3)11-10-18-15(9-14(11)22(4,19)20)21-13-8-6-5-7-12(13)17/h5-10H,1-4H3
InChIKeyYQZGAMLSCCWWCM-UHFFFAOYSA-N
MW323.39 g/mol
LogP3.71
Rot. Bonds3

About 5-tert-butyl-2-(2-fluorophenoxy)-4-methylsulfonylpyridine

5-tert-butyl-2-(2-fluorophenoxy)-4-methylsulfonylpyridine (PubChem CID 165371953) has the molecular formula C16H18FNO3S and a molecular weight of 323.39 g/mol. Its IUPAC name is 5-tert-butyl-2-(2-fluorophenoxy)-4-methylsulfonylpyridine.

Molecular Properties

Compound Name5-tert-butyl-2-(2-fluorophenoxy)-4-methylsulfonylpyridine
PubChem CID165371953
Molecular FormulaC16H18FNO3S
Molecular Weight323.39 g/mol
Exact Mass323.10
IUPAC Name5-tert-butyl-2-(2-fluorophenoxy)-4-methylsulfonylpyridine
SMILESCC(C)(C)c1cnc(Oc2ccccc2F)cc1S(C)(=O)=O
InChIInChI=1S/C16H18FNO3S/c1-16(2,3)11-10-18-15(9-14(11)22(4,19)20)21-13-8-6-5-7-12(13)17/h5-10H,1-4H3
InChIKeyYQZGAMLSCCWWCM-UHFFFAOYSA-N
XLogP3.71
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-(2-fluorophenoxy)-4-methylsulfonylpyridine?
The IUPAC name of 5-tert-butyl-2-(2-fluorophenoxy)-4-methylsulfonylpyridine (CID 165371953) is 5-tert-butyl-2-(2-fluorophenoxy)-4-methylsulfonylpyridine.
What is the SMILES notation for 5-tert-butyl-2-(2-fluorophenoxy)-4-methylsulfonylpyridine?
The canonical SMILES for 5-tert-butyl-2-(2-fluorophenoxy)-4-methylsulfonylpyridine is CC(C)(C)c1cnc(Oc2ccccc2F)cc1S(C)(=O)=O.
What is the InChIKey of 5-tert-butyl-2-(2-fluorophenoxy)-4-methylsulfonylpyridine?
The InChIKey is YQZGAMLSCCWWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO3S/c1-16(2,3)11-10-18-15(9-14(11)22(4,19)20)21-13-8-6-5-7-12(13)17/h5-10H,1-4H3.
What are the key properties of 5-tert-butyl-2-(2-fluorophenoxy)-4-methylsulfonylpyridine?
5-tert-butyl-2-(2-fluorophenoxy)-4-methylsulfonylpyridine has a molecular weight of 323.39 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-(2-fluorophenoxy)-4-methylsulfonylpyridine is sourced from PubChem (CID 165371953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).