1-(4-methylphenyl)sulfonyl-3,4-diphenyl-4H-pyridine

C24H21NO2S — CID 122203533

IUPAC1-(4-methylphenyl)sulfonyl-3,4-diphenyl-4H-pyridine
SMILESCc1ccc(S(=O)(=O)N2C=CC(c3ccccc3)C(c3ccccc3)=C2)cc1
InChIInChI=1S/C24H21NO2S/c1-19-12-14-22(15-13-19)28(26,27)25-17-16-23(20-8-4-2-5-9-20)24(18-25)21-10-6-3-7-11-21/h2-18,23H,1H3
InChIKeyZHBWWRRWOAHGIX-UHFFFAOYSA-N
MW387.50 g/mol
LogP5.34
Rot. Bonds4

About 1-(4-methylphenyl)sulfonyl-3,4-diphenyl-4H-pyridine

1-(4-methylphenyl)sulfonyl-3,4-diphenyl-4H-pyridine (PubChem CID 122203533) has the molecular formula C24H21NO2S and a molecular weight of 387.50 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonyl-3,4-diphenyl-4H-pyridine.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfonyl-3,4-diphenyl-4H-pyridine
PubChem CID122203533
Molecular FormulaC24H21NO2S
Molecular Weight387.50 g/mol
Exact Mass387.13
IUPAC Name1-(4-methylphenyl)sulfonyl-3,4-diphenyl-4H-pyridine
SMILESCc1ccc(S(=O)(=O)N2C=CC(c3ccccc3)C(c3ccccc3)=C2)cc1
InChIInChI=1S/C24H21NO2S/c1-19-12-14-22(15-13-19)28(26,27)25-17-16-23(20-8-4-2-5-9-20)24(18-25)21-10-6-3-7-11-21/h2-18,23H,1H3
InChIKeyZHBWWRRWOAHGIX-UHFFFAOYSA-N
XLogP5.34
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.50
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methylphenyl)sulfonyl-3,4-diphenyl-3,6-dihydro-2H-pyridine
CID 102402863
(2Z,5Z,8Z)-1,4,7-tris-(4-methylphenyl)sulfonyl-1,4,7-triazonine
CID 12599640
1-(4-methylphenyl)sulfonyl-2-phenylaziridine
CID 576319
2-(4-methylphenyl)sulfonyl-3-phenyloxaziridine
CID 10967742
(R)-[(2S,3S)-1-(4-methylphenyl)sulfonyl-3-phenylaziridin-2-yl]-phenylmethanol
CID 102373671
4-methyl-1-(4-methylphenyl)sulfonyl-3-phenyl-2,3-dihydropyrrole
CID 54671505
3,6,9-tris-(4-methylphenyl)sulfonyl-3,6,9-triazatetracyclo[6.1.0.02,4.05,7]nonane
CID 12599628
1-methyl-4-(4-phenylphenyl)sulfonylbenzene
CID 2801718
1-methyl-4-[4-(4-phenylphenyl)sulfonylphenyl]benzene
CID 58526721
(2R,3S)-1-(4-methylphenyl)sulfonyl-3-phenylaziridine-2-carbaldehyde
CID 134884122
trimethyl-[(2R,3S)-1-(4-methylphenyl)sulfonyl-3-phenylaziridin-2-yl]silane
CID 15500792
(2S,3S)-2-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-3-phenylaziridine
CID 24764030

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfonyl-3,4-diphenyl-4H-pyridine?
The IUPAC name of 1-(4-methylphenyl)sulfonyl-3,4-diphenyl-4H-pyridine (CID 122203533) is 1-(4-methylphenyl)sulfonyl-3,4-diphenyl-4H-pyridine.
What is the SMILES notation for 1-(4-methylphenyl)sulfonyl-3,4-diphenyl-4H-pyridine?
The canonical SMILES for 1-(4-methylphenyl)sulfonyl-3,4-diphenyl-4H-pyridine is Cc1ccc(S(=O)(=O)N2C=CC(c3ccccc3)C(c3ccccc3)=C2)cc1.
What is the InChIKey of 1-(4-methylphenyl)sulfonyl-3,4-diphenyl-4H-pyridine?
The InChIKey is ZHBWWRRWOAHGIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO2S/c1-19-12-14-22(15-13-19)28(26,27)25-17-16-23(20-8-4-2-5-9-20)24(18-25)21-10-6-3-7-11-21/h2-18,23H,1H3.
What are the key properties of 1-(4-methylphenyl)sulfonyl-3,4-diphenyl-4H-pyridine?
1-(4-methylphenyl)sulfonyl-3,4-diphenyl-4H-pyridine has a molecular weight of 387.50 g/mol, XLogP of 5.34, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfonyl-3,4-diphenyl-4H-pyridine is sourced from PubChem (CID 122203533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).