2-[3-[2-(4-methylphenyl)sulfonylphenyl]-5-pyridin-2-ylphenyl]pyridine

C29H22N2O2S — CID 154630131

IUPAC2-[3-[2-(4-methylphenyl)sulfonylphenyl]-5-pyridin-2-ylphenyl]pyridine
SMILESCc1ccc(S(=O)(=O)c2ccccc2-c2cc(-c3ccccn3)cc(-c3ccccn3)c2)cc1
InChIInChI=1S/C29H22N2O2S/c1-21-12-14-25(15-13-21)34(32,33)29-11-3-2-8-26(29)22-18-23(27-9-4-6-16-30-27)20-24(19-22)28-10-5-7-17-31-28/h2-20H,1H3
InChIKeyAZPAHRLODZKZAJ-UHFFFAOYSA-N
MW462.57 g/mol
LogP6.62
Rot. Bonds5

About 2-[3-[2-(4-methylphenyl)sulfonylphenyl]-5-pyridin-2-ylphenyl]pyridine

2-[3-[2-(4-methylphenyl)sulfonylphenyl]-5-pyridin-2-ylphenyl]pyridine (PubChem CID 154630131) has the molecular formula C29H22N2O2S and a molecular weight of 462.57 g/mol. Its IUPAC name is 2-[3-[2-(4-methylphenyl)sulfonylphenyl]-5-pyridin-2-ylphenyl]pyridine.

Molecular Properties

Compound Name2-[3-[2-(4-methylphenyl)sulfonylphenyl]-5-pyridin-2-ylphenyl]pyridine
PubChem CID154630131
Molecular FormulaC29H22N2O2S
Molecular Weight462.57 g/mol
Exact Mass462.14
IUPAC Name2-[3-[2-(4-methylphenyl)sulfonylphenyl]-5-pyridin-2-ylphenyl]pyridine
SMILESCc1ccc(S(=O)(=O)c2ccccc2-c2cc(-c3ccccn3)cc(-c3ccccn3)c2)cc1
InChIInChI=1S/C29H22N2O2S/c1-21-12-14-25(15-13-21)34(32,33)29-11-3-2-8-26(29)22-18-23(27-9-4-6-16-30-27)20-24(19-22)28-10-5-7-17-31-28/h2-20H,1H3
InChIKeyAZPAHRLODZKZAJ-UHFFFAOYSA-N
XLogP6.62
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.57
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-methyl-2-(4-methylphenyl)sulfonylphenyl]pyridine
CID 135001779
chloropalladium(1+);2-[2-(4-methylphenyl)sulfonylphenyl]pyridine;2-phenylpyridine
CID 139242717
2-[3-[2-[2-(3,5-dipyridin-2-ylphenyl)phenyl]phenyl]-5-pyridin-2-ylphenyl]pyridine
CID 71534257
4-methylbenzenesulfonic acid;2-pyridin-2-ylpyridine
CID 118437639
5-(4-methylphenyl)sulfonyl-2-pyridin-2-yl-4-pyridin-3-ylpyrimidine
CID 4575604
2-[3-[3-(3,5-dipyridin-2-ylphenyl)-5-methylphenyl]-5-pyridin-2-ylphenyl]pyridine
CID 58556429
2-(4-methylphenyl)pyridine;silver
CID 121395993
4-methyl-N-(4-pyridin-2-ylphenyl)benzenesulfonamide
CID 169370373
2-(4-methylphenyl)sulfonylbenzenesulfonate
CID 22251002
2-(4-tert-butylsulfonylphenyl)pyridine
CID 102234963
2-[2,5-bis(benzenesulfonyl)-4-phenylphenyl]pyridine
CID 175791079
1-(benzenesulfonyl)-2-(4-methylphenyl)sulfonylbenzene
CID 176904491

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(4-methylphenyl)sulfonylphenyl]-5-pyridin-2-ylphenyl]pyridine?
The IUPAC name of 2-[3-[2-(4-methylphenyl)sulfonylphenyl]-5-pyridin-2-ylphenyl]pyridine (CID 154630131) is 2-[3-[2-(4-methylphenyl)sulfonylphenyl]-5-pyridin-2-ylphenyl]pyridine.
What is the SMILES notation for 2-[3-[2-(4-methylphenyl)sulfonylphenyl]-5-pyridin-2-ylphenyl]pyridine?
The canonical SMILES for 2-[3-[2-(4-methylphenyl)sulfonylphenyl]-5-pyridin-2-ylphenyl]pyridine is Cc1ccc(S(=O)(=O)c2ccccc2-c2cc(-c3ccccn3)cc(-c3ccccn3)c2)cc1.
What is the InChIKey of 2-[3-[2-(4-methylphenyl)sulfonylphenyl]-5-pyridin-2-ylphenyl]pyridine?
The InChIKey is AZPAHRLODZKZAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22N2O2S/c1-21-12-14-25(15-13-21)34(32,33)29-11-3-2-8-26(29)22-18-23(27-9-4-6-16-30-27)20-24(19-22)28-10-5-7-17-31-28/h2-20H,1H3.
What are the key properties of 2-[3-[2-(4-methylphenyl)sulfonylphenyl]-5-pyridin-2-ylphenyl]pyridine?
2-[3-[2-(4-methylphenyl)sulfonylphenyl]-5-pyridin-2-ylphenyl]pyridine has a molecular weight of 462.57 g/mol, XLogP of 6.62, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(4-methylphenyl)sulfonylphenyl]-5-pyridin-2-ylphenyl]pyridine is sourced from PubChem (CID 154630131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).