5-chloro-3-(4-ethylsulfonylphenyl)-2-(6-methyl-3-pyridinyl)pyridine;5-chloro-2-(6-methyl-3-pyridinyl)-3-(4-methylsulfonylphenyl)pyridine;methane

C38H36Cl2N4O4S2 — CID 159179951

IUPAC5-chloro-3-(4-ethylsulfonylphenyl)-2-(6-methyl-3-pyridinyl)pyridine;5-chloro-2-(6-methyl-3-pyridinyl)-3-(4-methylsulfonylphenyl)pyridine;methane
SMILESC.CCS(=O)(=O)c1ccc(-c2cc(Cl)cnc2-c2ccc(C)nc2)cc1.Cc1ccc(-c2ncc(Cl)cc2-c2ccc(S(C)(=O)=O)cc2)cn1
InChIInChI=1S/C19H17ClN2O2S.C18H15ClN2O2S.CH4/c1-3-25(23,24)17-8-6-14(7-9-17)18-10-16(20)12-22-19(18)15-5-4-13(2)21-11-15;1-12-3-4-14(10-20-12)18-17(9-15(19)11-21-18)13-5-7-16(8-6-13)24(2,22)23;/h4-12H,3H2,1-2H3;3-11H,1-2H3;1H4
InChIKeyKMTJZINOIVMYOC-UHFFFAOYSA-N
MW747.77 g/mol
LogP9.38
Rot. Bonds7

About 5-chloro-3-(4-ethylsulfonylphenyl)-2-(6-methyl-3-pyridinyl)pyridine;5-chloro-2-(6-methyl-3-pyridinyl)-3-(4-methylsulfonylphenyl)pyridine;methane

5-chloro-3-(4-ethylsulfonylphenyl)-2-(6-methyl-3-pyridinyl)pyridine;5-chloro-2-(6-methyl-3-pyridinyl)-3-(4-methylsulfonylphenyl)pyridine;methane (PubChem CID 159179951) has the molecular formula C38H36Cl2N4O4S2 and a molecular weight of 747.77 g/mol. Its IUPAC name is 5-chloro-3-(4-ethylsulfonylphenyl)-2-(6-methyl-3-pyridinyl)pyridine;5-chloro-2-(6-methyl-3-pyridinyl)-3-(4-methylsulfonylphenyl)pyridine;methane.

Molecular Properties

Compound Name5-chloro-3-(4-ethylsulfonylphenyl)-2-(6-methyl-3-pyridinyl)pyridine;5-chloro-2-(6-methyl-3-pyridinyl)-3-(4-methylsulfonylphenyl)pyridine;methane
PubChem CID159179951
Molecular FormulaC38H36Cl2N4O4S2
Molecular Weight747.77 g/mol
Exact Mass746.16
IUPAC Name5-chloro-3-(4-ethylsulfonylphenyl)-2-(6-methyl-3-pyridinyl)pyridine;5-chloro-2-(6-methyl-3-pyridinyl)-3-(4-methylsulfonylphenyl)pyridine;methane
SMILESC.CCS(=O)(=O)c1ccc(-c2cc(Cl)cnc2-c2ccc(C)nc2)cc1.Cc1ccc(-c2ncc(Cl)cc2-c2ccc(S(C)(=O)=O)cc2)cn1
InChIInChI=1S/C19H17ClN2O2S.C18H15ClN2O2S.CH4/c1-3-25(23,24)17-8-6-14(7-9-17)18-10-16(20)12-22-19(18)15-5-4-13(2)21-11-15;1-12-3-4-14(10-20-12)18-17(9-15(19)11-21-18)13-5-7-16(8-6-13)24(2,22)23;/h4-12H,3H2,1-2H3;3-11H,1-2H3;1H4
InChIKeyKMTJZINOIVMYOC-UHFFFAOYSA-N
XLogP9.38
TPSA119.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500747.77
LogP ≤ 59.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

5-chloro-2-(6-methyl-3-pyridinyl)-3-(4-methylsulfonylphenyl)pyridine
CID 139198213
5-chloro-2-(6-methyl-3-pyridinyl)-3-(2,3,5,6-tetradeuterio-4-methylsulfonylphenyl)pyridine
CID 25224662
5-bromo-2-(6-methyl-3-pyridinyl)-3-(4-methylsulfonylphenyl)pyridine
CID 10763673
5-chloro-2-(6-methyl-3-pyridinyl)-3-(4-methylsulfonylphenyl)pyridine;2-(3,5-difluorophenyl)-3-(4-methylsulfonylphenyl)cyclopent-2-en-1-one
CID 69338057
CID 174159046
CID 174159046
5-chloro-2-(6-methyl-3-pyridinyl)-3-(4-methylsulfinylphenyl)pyridine;ethane
CID 142984761
[4-[[4-[5-chloro-2-(6-methyl-3-pyridinyl)-3-pyridinyl]phenyl]sulfonylamino]-4-oxobutyl] nitrate
CID 10311168
4-[5-chloro-2-(6-methyl-3-pyridinyl)-3-pyridinyl]-N-methylbenzenesulfinamide;ethane
CID 143153542
4-chloro-2-(6-methyl-3-pyridinyl)-3-(4-methylsulfonylphenyl)pyridine
CID 18184550
2-methyl-5-[4-(4-methylsulfonylphenyl)furan-3-yl]pyridine
CID 22181944
2-chloro-5-methyl-3-(4-methylsulfonylphenyl)pyridine
CID 15380940
CID 165406952
CID 165406952

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(4-ethylsulfonylphenyl)-2-(6-methyl-3-pyridinyl)pyridine;5-chloro-2-(6-methyl-3-pyridinyl)-3-(4-methylsulfonylphenyl)pyridine;methane?
The IUPAC name of 5-chloro-3-(4-ethylsulfonylphenyl)-2-(6-methyl-3-pyridinyl)pyridine;5-chloro-2-(6-methyl-3-pyridinyl)-3-(4-methylsulfonylphenyl)pyridine;methane (CID 159179951) is 5-chloro-3-(4-ethylsulfonylphenyl)-2-(6-methyl-3-pyridinyl)pyridine;5-chloro-2-(6-methyl-3-pyridinyl)-3-(4-methylsulfonylphenyl)pyridine;methane.
What is the SMILES notation for 5-chloro-3-(4-ethylsulfonylphenyl)-2-(6-methyl-3-pyridinyl)pyridine;5-chloro-2-(6-methyl-3-pyridinyl)-3-(4-methylsulfonylphenyl)pyridine;methane?
The canonical SMILES for 5-chloro-3-(4-ethylsulfonylphenyl)-2-(6-methyl-3-pyridinyl)pyridine;5-chloro-2-(6-methyl-3-pyridinyl)-3-(4-methylsulfonylphenyl)pyridine;methane is C.CCS(=O)(=O)c1ccc(-c2cc(Cl)cnc2-c2ccc(C)nc2)cc1.Cc1ccc(-c2ncc(Cl)cc2-c2ccc(S(C)(=O)=O)cc2)cn1.
What is the InChIKey of 5-chloro-3-(4-ethylsulfonylphenyl)-2-(6-methyl-3-pyridinyl)pyridine;5-chloro-2-(6-methyl-3-pyridinyl)-3-(4-methylsulfonylphenyl)pyridine;methane?
The InChIKey is KMTJZINOIVMYOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O2S.C18H15ClN2O2S.CH4/c1-3-25(23,24)17-8-6-14(7-9-17)18-10-16(20)12-22-19(18)15-5-4-13(2)21-11-15;1-12-3-4-14(10-20-12)18-17(9-15(19)11-21-18)13-5-7-16(8-6-13)24(2,22)23;/h4-12H,3H2,1-2H3;3-11H,1-2H3;1H4.
What are the key properties of 5-chloro-3-(4-ethylsulfonylphenyl)-2-(6-methyl-3-pyridinyl)pyridine;5-chloro-2-(6-methyl-3-pyridinyl)-3-(4-methylsulfonylphenyl)pyridine;methane?
5-chloro-3-(4-ethylsulfonylphenyl)-2-(6-methyl-3-pyridinyl)pyridine;5-chloro-2-(6-methyl-3-pyridinyl)-3-(4-methylsulfonylphenyl)pyridine;methane has a molecular weight of 747.77 g/mol, XLogP of 9.38, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(4-ethylsulfonylphenyl)-2-(6-methyl-3-pyridinyl)pyridine;5-chloro-2-(6-methyl-3-pyridinyl)-3-(4-methylsulfonylphenyl)pyridine;methane is sourced from PubChem (CID 159179951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).