2-[5-(4-methylphenyl)sulfonyl-2-[4-(4-methylphenyl)sulfonyl-2-pyridin-2-ylphenyl]phenyl]pyridine

C36H28N2O4S2 — CID 135022478

IUPAC2-[5-(4-methylphenyl)sulfonyl-2-[4-(4-methylphenyl)sulfonyl-2-pyridin-2-ylphenyl]phenyl]pyridine
SMILESCc1ccc(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)c4ccc(C)cc4)cc3-c3ccccn3)c(-c3ccccn3)c2)cc1
InChIInChI=1S/C36H28N2O4S2/c1-25-9-13-27(14-10-25)43(39,40)29-17-19-31(33(23-29)35-7-3-5-21-37-35)32-20-18-30(24-34(32)36-8-4-6-22-38-36)44(41,42)28-15-11-26(2)12-16-28/h3-24H,1-2H3
InChIKeyXJZJPWCMUAGSFF-UHFFFAOYSA-N
MW616.76 g/mol
LogP7.76
Rot. Bonds7

About 2-[5-(4-methylphenyl)sulfonyl-2-[4-(4-methylphenyl)sulfonyl-2-pyridin-2-ylphenyl]phenyl]pyridine

2-[5-(4-methylphenyl)sulfonyl-2-[4-(4-methylphenyl)sulfonyl-2-pyridin-2-ylphenyl]phenyl]pyridine (PubChem CID 135022478) has the molecular formula C36H28N2O4S2 and a molecular weight of 616.76 g/mol. Its IUPAC name is 2-[5-(4-methylphenyl)sulfonyl-2-[4-(4-methylphenyl)sulfonyl-2-pyridin-2-ylphenyl]phenyl]pyridine.

Molecular Properties

Compound Name2-[5-(4-methylphenyl)sulfonyl-2-[4-(4-methylphenyl)sulfonyl-2-pyridin-2-ylphenyl]phenyl]pyridine
PubChem CID135022478
Molecular FormulaC36H28N2O4S2
Molecular Weight616.76 g/mol
Exact Mass616.15
IUPAC Name2-[5-(4-methylphenyl)sulfonyl-2-[4-(4-methylphenyl)sulfonyl-2-pyridin-2-ylphenyl]phenyl]pyridine
SMILESCc1ccc(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)c4ccc(C)cc4)cc3-c3ccccn3)c(-c3ccccn3)c2)cc1
InChIInChI=1S/C36H28N2O4S2/c1-25-9-13-27(14-10-25)43(39,40)29-17-19-31(33(23-29)35-7-3-5-21-37-35)32-20-18-30(24-34(32)36-8-4-6-22-38-36)44(41,42)28-15-11-26(2)12-16-28/h3-24H,1-2H3
InChIKeyXJZJPWCMUAGSFF-UHFFFAOYSA-N
XLogP7.76
TPSA94.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.76
LogP ≤ 57.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

8-(3-(2-(Methylsulfonyl)-2-(4-(methylsulfonyl)phenyl)ethyl)phenyl)-6-(2-(methylsulfonyl)propan-2-yl)quinoline
CID 10232061
8-(3''-Methanesulfonyl-biphenyl-3-yl)-6-(1-methanesulfonyl-1-methyl-ethyl)-quinoline
CID 10254542
(E)-6-isopropyl-8-(3-(2-(5-methylpyridin-2-yl)-2-(4-(methylsulfonyl)phenyl)vinyl)phenyl)quinoline
CID 10301548
8-(4''-Methanesulfonyl-biphenyl-3-yl)-6-(1-methanesulfonyl-1-methyl-ethyl)-quinoline
CID 10390387
N-methyl-N-[2-phenyl-4-[4-(3-phenylpropyl)-1-piperidyl]butyl]-5-(2-pyridyl)thiophene-2-sulfonamide
CID 489308
N-{3-[2-(2-pyridinyl)ethyl]phenyl}-2-naphthalenesulfonamide
CID 1327896
3-(4-Methanesulfonyl-phenyl)-2-phenyl-pyridine
CID 9926659
3-(4-Methanesulfonyl-phenyl)-5-methyl-[2,3'']bipyridinyl
CID 9967049
3-(4-Methanesulfonyl-phenyl)-5-trifluoromethyl-[2,3'']bipyridinyl
CID 10199643
5-(4,5-Difluoro-4''-methanesulfonyl-biphenyl-2-yl)-2-methyl-pyridine
CID 10570444
3-(4-Methanesulfonyl-phenyl)-[2,3'']bipyridinyl
CID 44326499
1,4-Bis[4-(1-pyridinium)styryl)]benzene ditosylate
CID 6505042

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-methylphenyl)sulfonyl-2-[4-(4-methylphenyl)sulfonyl-2-pyridin-2-ylphenyl]phenyl]pyridine?
The IUPAC name of 2-[5-(4-methylphenyl)sulfonyl-2-[4-(4-methylphenyl)sulfonyl-2-pyridin-2-ylphenyl]phenyl]pyridine (CID 135022478) is 2-[5-(4-methylphenyl)sulfonyl-2-[4-(4-methylphenyl)sulfonyl-2-pyridin-2-ylphenyl]phenyl]pyridine.
What is the SMILES notation for 2-[5-(4-methylphenyl)sulfonyl-2-[4-(4-methylphenyl)sulfonyl-2-pyridin-2-ylphenyl]phenyl]pyridine?
The canonical SMILES for 2-[5-(4-methylphenyl)sulfonyl-2-[4-(4-methylphenyl)sulfonyl-2-pyridin-2-ylphenyl]phenyl]pyridine is Cc1ccc(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)c4ccc(C)cc4)cc3-c3ccccn3)c(-c3ccccn3)c2)cc1.
What is the InChIKey of 2-[5-(4-methylphenyl)sulfonyl-2-[4-(4-methylphenyl)sulfonyl-2-pyridin-2-ylphenyl]phenyl]pyridine?
The InChIKey is XJZJPWCMUAGSFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H28N2O4S2/c1-25-9-13-27(14-10-25)43(39,40)29-17-19-31(33(23-29)35-7-3-5-21-37-35)32-20-18-30(24-34(32)36-8-4-6-22-38-36)44(41,42)28-15-11-26(2)12-16-28/h3-24H,1-2H3.
What are the key properties of 2-[5-(4-methylphenyl)sulfonyl-2-[4-(4-methylphenyl)sulfonyl-2-pyridin-2-ylphenyl]phenyl]pyridine?
2-[5-(4-methylphenyl)sulfonyl-2-[4-(4-methylphenyl)sulfonyl-2-pyridin-2-ylphenyl]phenyl]pyridine has a molecular weight of 616.76 g/mol, XLogP of 7.76, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-methylphenyl)sulfonyl-2-[4-(4-methylphenyl)sulfonyl-2-pyridin-2-ylphenyl]phenyl]pyridine is sourced from PubChem (CID 135022478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).