5-methyl-1-(4-methylphenyl)sulfonyl-6-phenyl-2H-pyridine

C19H19NO2S — CID 102581556

IUPAC5-methyl-1-(4-methylphenyl)sulfonyl-6-phenyl-2H-pyridine
SMILESCC1=C(c2ccccc2)N(S(=O)(=O)c2ccc(C)cc2)CC=C1
InChIInChI=1S/C19H19NO2S/c1-15-10-12-18(13-11-15)23(21,22)20-14-6-7-16(2)19(20)17-8-4-3-5-9-17/h3-13H,14H2,1-2H3
InChIKeyZJPVYTOWOKAKRI-UHFFFAOYSA-N
MW325.43 g/mol
LogP3.99
Rot. Bonds3

About 5-methyl-1-(4-methylphenyl)sulfonyl-6-phenyl-2H-pyridine

5-methyl-1-(4-methylphenyl)sulfonyl-6-phenyl-2H-pyridine (PubChem CID 102581556) has the molecular formula C19H19NO2S and a molecular weight of 325.43 g/mol. Its IUPAC name is 5-methyl-1-(4-methylphenyl)sulfonyl-6-phenyl-2H-pyridine.

Molecular Properties

Compound Name5-methyl-1-(4-methylphenyl)sulfonyl-6-phenyl-2H-pyridine
PubChem CID102581556
Molecular FormulaC19H19NO2S
Molecular Weight325.43 g/mol
Exact Mass325.11
IUPAC Name5-methyl-1-(4-methylphenyl)sulfonyl-6-phenyl-2H-pyridine
SMILESCC1=C(c2ccccc2)N(S(=O)(=O)c2ccc(C)cc2)CC=C1
InChIInChI=1S/C19H19NO2S/c1-15-10-12-18(13-11-15)23(21,22)20-14-6-7-16(2)19(20)17-8-4-3-5-9-17/h3-13H,14H2,1-2H3
InChIKeyZJPVYTOWOKAKRI-UHFFFAOYSA-N
XLogP3.99
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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(3Z)-1,6-bis-(4-methylphenyl)sulfonyl-5,7-dihydro-2H-1,6-benzodiazonine
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1-methyl-4-(4-phenylphenyl)sulfonylbenzene
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1-methyl-4-[4-(4-phenylphenyl)sulfonylphenyl]benzene
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1-(4-methylphenyl)sulfonyl-4-phenyl-2,6-dihydropyridin-3-one
CID 102280475
1-(4-methylphenyl)sulfonyl-3-phenyl-2H-quinoline
CID 175302706
2-(4-methylphenyl)sulfonyl-5,6-diphenyl-1,3-dihydroisoindole
CID 134951286
4-(4-methylphenyl)-1-(4-methylphenyl)sulfonyl-2,3-dihydropyridin-6-one
CID 164898045
1-(4-methylphenyl)sulfonyl-5-phenyl-2,3,4,7-tetrahydroazepine
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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(4-methylphenyl)sulfonyl-6-phenyl-2H-pyridine?
The IUPAC name of 5-methyl-1-(4-methylphenyl)sulfonyl-6-phenyl-2H-pyridine (CID 102581556) is 5-methyl-1-(4-methylphenyl)sulfonyl-6-phenyl-2H-pyridine.
What is the SMILES notation for 5-methyl-1-(4-methylphenyl)sulfonyl-6-phenyl-2H-pyridine?
The canonical SMILES for 5-methyl-1-(4-methylphenyl)sulfonyl-6-phenyl-2H-pyridine is CC1=C(c2ccccc2)N(S(=O)(=O)c2ccc(C)cc2)CC=C1.
What is the InChIKey of 5-methyl-1-(4-methylphenyl)sulfonyl-6-phenyl-2H-pyridine?
The InChIKey is ZJPVYTOWOKAKRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2S/c1-15-10-12-18(13-11-15)23(21,22)20-14-6-7-16(2)19(20)17-8-4-3-5-9-17/h3-13H,14H2,1-2H3.
What are the key properties of 5-methyl-1-(4-methylphenyl)sulfonyl-6-phenyl-2H-pyridine?
5-methyl-1-(4-methylphenyl)sulfonyl-6-phenyl-2H-pyridine has a molecular weight of 325.43 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(4-methylphenyl)sulfonyl-6-phenyl-2H-pyridine is sourced from PubChem (CID 102581556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).