4-[5-chloro-2-(6-methyl-3-pyridinyl)-3-pyridinyl]-N-methylbenzenesulfinamide;ethane

C20H22ClN3OS — CID 143153542

IUPAC4-[5-chloro-2-(6-methyl-3-pyridinyl)-3-pyridinyl]-N-methylbenzenesulfinamide;ethane
SMILESCC.CNS(=O)c1ccc(-c2cc(Cl)cnc2-c2ccc(C)nc2)cc1
InChIInChI=1S/C18H16ClN3OS.C2H6/c1-12-3-4-14(10-21-12)18-17(9-15(19)11-22-18)13-5-7-16(8-6-13)24(23)20-2;1-2/h3-11,20H,1-2H3;1-2H3
InChIKeyJODUYCSTJOJBQL-UHFFFAOYSA-N
MW387.94 g/mol
LogP5.04
Rot. Bonds4

About 4-[5-chloro-2-(6-methyl-3-pyridinyl)-3-pyridinyl]-N-methylbenzenesulfinamide;ethane

4-[5-chloro-2-(6-methyl-3-pyridinyl)-3-pyridinyl]-N-methylbenzenesulfinamide;ethane (PubChem CID 143153542) has the molecular formula C20H22ClN3OS and a molecular weight of 387.94 g/mol. Its IUPAC name is 4-[5-chloro-2-(6-methyl-3-pyridinyl)-3-pyridinyl]-N-methylbenzenesulfinamide;ethane.

Molecular Properties

Compound Name4-[5-chloro-2-(6-methyl-3-pyridinyl)-3-pyridinyl]-N-methylbenzenesulfinamide;ethane
PubChem CID143153542
Molecular FormulaC20H22ClN3OS
Molecular Weight387.94 g/mol
Exact Mass387.12
IUPAC Name4-[5-chloro-2-(6-methyl-3-pyridinyl)-3-pyridinyl]-N-methylbenzenesulfinamide;ethane
SMILESCC.CNS(=O)c1ccc(-c2cc(Cl)cnc2-c2ccc(C)nc2)cc1
InChIInChI=1S/C18H16ClN3OS.C2H6/c1-12-3-4-14(10-21-12)18-17(9-15(19)11-22-18)13-5-7-16(8-6-13)24(23)20-2;1-2/h3-11,20H,1-2H3;1-2H3
InChIKeyJODUYCSTJOJBQL-UHFFFAOYSA-N
XLogP5.04
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.94
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-(6-methyl-3-pyridinyl)-3-(4-methylsulfinylphenyl)pyridine;ethane
CID 142984761
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-chloro-3-(4-ethylsulfonylphenyl)-2-(6-methyl-3-pyridinyl)pyridine;5-chloro-2-(6-methyl-3-pyridinyl)-3-(4-methylsulfonylphenyl)pyridine;methane
CID 159179951
CID 174159046
CID 174159046
[4-[[4-[5-chloro-2-(6-methyl-3-pyridinyl)-3-pyridinyl]phenyl]sulfonylamino]-4-oxobutyl] nitrate
CID 10311168
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 165406952
CID 165406952
5-(2,4-dichlorophenyl)-2-methylpyridine
CID 57069565
4-chloro-3-(6-methyl-3-pyridinyl)phenol
CID 175413661
methyl 2-chloro-5-(6-methyl-3-pyridinyl)benzoate
CID 58818175

Frequently Asked Questions

What is the IUPAC name of 4-[5-chloro-2-(6-methyl-3-pyridinyl)-3-pyridinyl]-N-methylbenzenesulfinamide;ethane?
The IUPAC name of 4-[5-chloro-2-(6-methyl-3-pyridinyl)-3-pyridinyl]-N-methylbenzenesulfinamide;ethane (CID 143153542) is 4-[5-chloro-2-(6-methyl-3-pyridinyl)-3-pyridinyl]-N-methylbenzenesulfinamide;ethane.
What is the SMILES notation for 4-[5-chloro-2-(6-methyl-3-pyridinyl)-3-pyridinyl]-N-methylbenzenesulfinamide;ethane?
The canonical SMILES for 4-[5-chloro-2-(6-methyl-3-pyridinyl)-3-pyridinyl]-N-methylbenzenesulfinamide;ethane is CC.CNS(=O)c1ccc(-c2cc(Cl)cnc2-c2ccc(C)nc2)cc1.
What is the InChIKey of 4-[5-chloro-2-(6-methyl-3-pyridinyl)-3-pyridinyl]-N-methylbenzenesulfinamide;ethane?
The InChIKey is JODUYCSTJOJBQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3OS.C2H6/c1-12-3-4-14(10-21-12)18-17(9-15(19)11-22-18)13-5-7-16(8-6-13)24(23)20-2;1-2/h3-11,20H,1-2H3;1-2H3.
What are the key properties of 4-[5-chloro-2-(6-methyl-3-pyridinyl)-3-pyridinyl]-N-methylbenzenesulfinamide;ethane?
4-[5-chloro-2-(6-methyl-3-pyridinyl)-3-pyridinyl]-N-methylbenzenesulfinamide;ethane has a molecular weight of 387.94 g/mol, XLogP of 5.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-chloro-2-(6-methyl-3-pyridinyl)-3-pyridinyl]-N-methylbenzenesulfinamide;ethane is sourced from PubChem (CID 143153542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).