1-(4-methylphenyl)sulfonyl-3,4-diphenyl-3,6-dihydro-2H-pyridine

C24H23NO2S — CID 102402863

IUPAC1-(4-methylphenyl)sulfonyl-3,4-diphenyl-3,6-dihydro-2H-pyridine
SMILESCc1ccc(S(=O)(=O)N2CC=C(c3ccccc3)C(c3ccccc3)C2)cc1
InChIInChI=1S/C24H23NO2S/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/h2-16,24H,17-18H2,1H3
InChIKeyJCYAZJXPDJKCPC-UHFFFAOYSA-N
MW389.52 g/mol
LogP4.87
Rot. Bonds4

About 1-(4-methylphenyl)sulfonyl-3,4-diphenyl-3,6-dihydro-2H-pyridine

1-(4-methylphenyl)sulfonyl-3,4-diphenyl-3,6-dihydro-2H-pyridine (PubChem CID 102402863) has the molecular formula C24H23NO2S and a molecular weight of 389.52 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonyl-3,4-diphenyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfonyl-3,4-diphenyl-3,6-dihydro-2H-pyridine
PubChem CID102402863
Molecular FormulaC24H23NO2S
Molecular Weight389.52 g/mol
Exact Mass389.14
IUPAC Name1-(4-methylphenyl)sulfonyl-3,4-diphenyl-3,6-dihydro-2H-pyridine
SMILESCc1ccc(S(=O)(=O)N2CC=C(c3ccccc3)C(c3ccccc3)C2)cc1
InChIInChI=1S/C24H23NO2S/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/h2-16,24H,17-18H2,1H3
InChIKeyJCYAZJXPDJKCPC-UHFFFAOYSA-N
XLogP4.87
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-fluorophenyl)-3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine
CID 16757141
4-methyl-1-(4-methylphenyl)sulfonyl-3-phenyl-2,3-dihydropyrrole
CID 54671505
1-(4-methylphenyl)sulfonyl-5-phenyl-2,3,4,7-tetrahydroazepine
CID 25193145
1-(4-methylphenyl)sulfonyl-4-phenyl-2,6-dihydropyridin-3-one
CID 102280475
1-(4-methylphenyl)sulfonyl-2-phenylaziridine
CID 576319
4-(3-methylphenyl)-1-(4-methylphenyl)sulfonyl-5-phenyl-2,5-dihydropyridin-6-one
CID 102529446
(4R)-6,7-dimethoxy-2-(4-methylphenyl)sulfonyl-4-phenyl-3,4-dihydro-1H-isoquinoline
CID 132567914
(3R)-1-(4-methylphenyl)sulfonyl-3-phenylpiperidine
CID 134848114
(4R)-3-(4-methylphenyl)-1-(4-methylphenyl)sulfonyl-4-phenylimidazolidine
CID 132992661
3-(4-methylphenyl)-1-(4-methylphenyl)sulfonyl-4-phenylimidazolidine
CID 132992751
3-(4-methylphenyl)-1-(4-methylphenyl)sulfonyl-4,5-diphenyl-2,3-dihydropyridin-6-one
CID 155907297
[(3R,4R)-1-(4-methylphenyl)sulfonyl-4-phenylpyrrolidin-3-yl]methanamine
CID 120765992

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfonyl-3,4-diphenyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-(4-methylphenyl)sulfonyl-3,4-diphenyl-3,6-dihydro-2H-pyridine (CID 102402863) is 1-(4-methylphenyl)sulfonyl-3,4-diphenyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-(4-methylphenyl)sulfonyl-3,4-diphenyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-(4-methylphenyl)sulfonyl-3,4-diphenyl-3,6-dihydro-2H-pyridine is Cc1ccc(S(=O)(=O)N2CC=C(c3ccccc3)C(c3ccccc3)C2)cc1.
What is the InChIKey of 1-(4-methylphenyl)sulfonyl-3,4-diphenyl-3,6-dihydro-2H-pyridine?
The InChIKey is JCYAZJXPDJKCPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO2S/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/h2-16,24H,17-18H2,1H3.
What are the key properties of 1-(4-methylphenyl)sulfonyl-3,4-diphenyl-3,6-dihydro-2H-pyridine?
1-(4-methylphenyl)sulfonyl-3,4-diphenyl-3,6-dihydro-2H-pyridine has a molecular weight of 389.52 g/mol, XLogP of 4.87, 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-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 102402863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).