2-(4-tert-butylsulfonylphenyl)pyridine

C15H17NO2S — CID 102234963

IUPAC2-(4-tert-butylsulfonylphenyl)pyridine
SMILESCC(C)(C)S(=O)(=O)c1ccc(-c2ccccn2)cc1
InChIInChI=1S/C15H17NO2S/c1-15(2,3)19(17,18)13-9-7-12(8-10-13)14-6-4-5-11-16-14/h4-11H,1-3H3
InChIKeyMKWPNJSZTDSGTM-UHFFFAOYSA-N
MW275.37 g/mol
LogP3.32
Rot. Bonds2

About 2-(4-tert-butylsulfonylphenyl)pyridine

2-(4-tert-butylsulfonylphenyl)pyridine (PubChem CID 102234963) has the molecular formula C15H17NO2S and a molecular weight of 275.37 g/mol. Its IUPAC name is 2-(4-tert-butylsulfonylphenyl)pyridine.

Molecular Properties

Compound Name2-(4-tert-butylsulfonylphenyl)pyridine
PubChem CID102234963
Molecular FormulaC15H17NO2S
Molecular Weight275.37 g/mol
Exact Mass275.10
IUPAC Name2-(4-tert-butylsulfonylphenyl)pyridine
SMILESCC(C)(C)S(=O)(=O)c1ccc(-c2ccccn2)cc1
InChIInChI=1S/C15H17NO2S/c1-15(2,3)19(17,18)13-9-7-12(8-10-13)14-6-4-5-11-16-14/h4-11H,1-3H3
InChIKeyMKWPNJSZTDSGTM-UHFFFAOYSA-N
XLogP3.32
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-(4-pyridin-2-ylphenyl)benzenesulfonamide
CID 169370373
2-(4-methylphenyl)pyridine;silver
CID 121395993
4-methylbenzenesulfonic acid;2-pyridin-2-ylpyridine
CID 118437639
iridium(3+);bis(2-phenylpyridine);trifluoromethanesulfonate;dihydroxide
CID 74220779
iridium;tris(2-[4-(4-methylphenyl)phenyl]pyridine)
CID 173084530
2-[3-[2-(4-methylphenyl)sulfonylphenyl]-5-pyridin-2-ylphenyl]pyridine
CID 154630131
4-[4,4-dimethyl-2-(4-pyridin-2-ylphenyl)cyclopenten-1-yl]benzenesulfonamide
CID 22917330
2-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]pyridine
CID 170286441
2-phenylpyridine;propan-2-one
CID 174845023
CID 88530161
CID 88530161
2-methyl-2-(4-pyridin-2-ylphenoxy)propanoic acid
CID 58589418
trimethyl-[4-(4-pyridin-2-ylphenyl)phenyl]silane
CID 157387060

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylsulfonylphenyl)pyridine?
The IUPAC name of 2-(4-tert-butylsulfonylphenyl)pyridine (CID 102234963) is 2-(4-tert-butylsulfonylphenyl)pyridine.
What is the SMILES notation for 2-(4-tert-butylsulfonylphenyl)pyridine?
The canonical SMILES for 2-(4-tert-butylsulfonylphenyl)pyridine is CC(C)(C)S(=O)(=O)c1ccc(-c2ccccn2)cc1.
What is the InChIKey of 2-(4-tert-butylsulfonylphenyl)pyridine?
The InChIKey is MKWPNJSZTDSGTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S/c1-15(2,3)19(17,18)13-9-7-12(8-10-13)14-6-4-5-11-16-14/h4-11H,1-3H3.
What are the key properties of 2-(4-tert-butylsulfonylphenyl)pyridine?
2-(4-tert-butylsulfonylphenyl)pyridine has a molecular weight of 275.37 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylsulfonylphenyl)pyridine is sourced from PubChem (CID 102234963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).