5-chloro-3-(4-methylsulfonylphenyl)-2-pyridin-2-ylpyridine

C17H13ClN2O2S — CID 10269056

IUPAC5-chloro-3-(4-methylsulfonylphenyl)-2-pyridin-2-ylpyridine
SMILESCS(=O)(=O)c1ccc(-c2cc(Cl)cnc2-c2ccccn2)cc1
InChIInChI=1S/C17H13ClN2O2S/c1-23(21,22)14-7-5-12(6-8-14)15-10-13(18)11-20-17(15)16-4-2-3-9-19-16/h2-11H,1H3
InChIKeyQIIVYFCKLOBDST-UHFFFAOYSA-N
MW344.82 g/mol
LogP3.87
Rot. Bonds3

About 5-chloro-3-(4-methylsulfonylphenyl)-2-pyridin-2-ylpyridine

5-chloro-3-(4-methylsulfonylphenyl)-2-pyridin-2-ylpyridine (PubChem CID 10269056) has the molecular formula C17H13ClN2O2S and a molecular weight of 344.82 g/mol. Its IUPAC name is 5-chloro-3-(4-methylsulfonylphenyl)-2-pyridin-2-ylpyridine.

Molecular Properties

Compound Name5-chloro-3-(4-methylsulfonylphenyl)-2-pyridin-2-ylpyridine
PubChem CID10269056
Molecular FormulaC17H13ClN2O2S
Molecular Weight344.82 g/mol
Exact Mass344.04
IUPAC Name5-chloro-3-(4-methylsulfonylphenyl)-2-pyridin-2-ylpyridine
SMILESCS(=O)(=O)c1ccc(-c2cc(Cl)cnc2-c2ccccn2)cc1
InChIInChI=1S/C17H13ClN2O2S/c1-23(21,22)14-7-5-12(6-8-14)15-10-13(18)11-20-17(15)16-4-2-3-9-19-16/h2-11H,1H3
InChIKeyQIIVYFCKLOBDST-UHFFFAOYSA-N
XLogP3.87
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.82
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(4-methylsulfonylphenyl)-2-pyridin-2-ylpyridine?
The IUPAC name of 5-chloro-3-(4-methylsulfonylphenyl)-2-pyridin-2-ylpyridine (CID 10269056) is 5-chloro-3-(4-methylsulfonylphenyl)-2-pyridin-2-ylpyridine.
What is the SMILES notation for 5-chloro-3-(4-methylsulfonylphenyl)-2-pyridin-2-ylpyridine?
The canonical SMILES for 5-chloro-3-(4-methylsulfonylphenyl)-2-pyridin-2-ylpyridine is CS(=O)(=O)c1ccc(-c2cc(Cl)cnc2-c2ccccn2)cc1.
What is the InChIKey of 5-chloro-3-(4-methylsulfonylphenyl)-2-pyridin-2-ylpyridine?
The InChIKey is QIIVYFCKLOBDST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O2S/c1-23(21,22)14-7-5-12(6-8-14)15-10-13(18)11-20-17(15)16-4-2-3-9-19-16/h2-11H,1H3.
What are the key properties of 5-chloro-3-(4-methylsulfonylphenyl)-2-pyridin-2-ylpyridine?
5-chloro-3-(4-methylsulfonylphenyl)-2-pyridin-2-ylpyridine has a molecular weight of 344.82 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(4-methylsulfonylphenyl)-2-pyridin-2-ylpyridine is sourced from PubChem (CID 10269056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).