2-tert-butyl-6-(2-chloro-5-ethylsulfinylphenyl)pyridine;2-tert-butyl-6-(2-chloro-5-methylsulfinylphenyl)pyridine;2-tert-butyl-6-(2-methyl-5-methylsulfonylphenyl)pyridine;2-tert-butyl-6-[2-methyl-5-(trifluoromethylsulfonyl)phenyl]pyridine;1-[3-(6-tert-butyl-2-pyridinyl)-4-chlorophenyl]ethanone;3-(6-tert-butyl-2-pyridinyl)-N,4-dimethyl-N-methylsulfonylbenzamide;3-(6-tert-butyl-2-pyridinyl)-N-ethylsulfonyl-4-methylbenzamide;3-(6-tert-butyl-2-pyridinyl)-4-methyl-N-methylsulfonylbenzamide

C140H165Cl3F3N11O16S7 — CID 158957645

IUPAC2-tert-butyl-6-(2-chloro-5-ethylsulfinylphenyl)pyridine;2-tert-butyl-6-(2-chloro-5-methylsulfinylphenyl)pyridine;2-tert-butyl-6-(2-methyl-5-methylsulfonylphenyl)pyridine;2-tert-butyl-6-[2-methyl-5-(trifluoromethylsulfonyl)phenyl]pyridine;1-[3-(6-tert-butyl-2-pyridinyl)-4-chlorophenyl]ethanone;3-(6-tert-butyl-2-pyridinyl)-N,4-dimethyl-N-methylsulfonylbenzamide;3-(6-tert-butyl-2-pyridinyl)-N-ethylsulfonyl-4-methylbenzamide;3-(6-tert-butyl-2-pyridinyl)-4-methyl-N-methylsulfonylbenzamide
SMILESCC(=O)c1ccc(Cl)c(-c2cccc(C(C)(C)C)n2)c1.CCS(=O)(=O)NC(=O)c1ccc(C)c(-c2cccc(C(C)(C)C)n2)c1.CCS(=O)c1ccc(Cl)c(-c2cccc(C(C)(C)C)n2)c1.CS(=O)c1ccc(Cl)c(-c2cccc(C(C)(C)C)n2)c1.Cc1ccc(C(=O)N(C)S(C)(=O)=O)cc1-c1cccc(C(C)(C)C)n1.Cc1ccc(C(=O)NS(C)(=O)=O)cc1-c1cccc(C(C)(C)C)n1.Cc1ccc(S(=O)(=O)C(F)(F)F)cc1-c1cccc(C(C)(C)C)n1.Cc1ccc(S(C)(=O)=O)cc1-c1cccc(C(C)(C)C)n1
InChIInChI=1S/2C19H24N2O3S.C18H22N2O3S.C17H20ClNOS.C17H18ClNO.C17H18F3NO2S.C17H21NO2S.C16H18ClNOS/c1-13-10-11-14(18(22)21(5)25(6,23)24)12-15(13)16-8-7-9-17(20-16)19(2,3)4;1-6-25(23,24)21-18(22)14-11-10-13(2)15(12-14)16-8-7-9-17(20-16)19(3,4)5;1-12-9-10-13(17(21)20-24(5,22)23)11-14(12)15-7-6-8-16(19-15)18(2,3)4;1-5-21(20)12-9-10-14(18)13(11-12)15-7-6-8-16(19-15)17(2,3)4;1-11(20)12-8-9-14(18)13(10-12)15-6-5-7-16(19-15)17(2,3)4;1-11-8-9-12(24(22,23)17(18,19)20)10-13(11)14-6-5-7-15(21-14)16(2,3)4;1-12-9-10-13(21(5,19)20)11-14(12)15-7-6-8-16(18-15)17(2,3)4;1-16(2,3)15-7-5-6-14(18-15)12-10-11(20(4)19)8-9-13(12)17/h7-12H,1-6H3;7-12H,6H2,1-5H3,(H,21,22);6-11H,1-5H3,(H,20,21);6-11H,5H2,1-4H3;5-10H,1-4H3;5-10H,1-4H3;6-11H,1-5H3;5-10H,1-4H3
InChIKeyJMFCVMOAANEJPG-UHFFFAOYSA-N
MW2645.74 g/mol
LogP32.44
Rot. Bonds21

About 2-tert-butyl-6-(2-chloro-5-ethylsulfinylphenyl)pyridine;2-tert-butyl-6-(2-chloro-5-methylsulfinylphenyl)pyridine;2-tert-butyl-6-(2-methyl-5-methylsulfonylphenyl)pyridine;2-tert-butyl-6-[2-methyl-5-(trifluoromethylsulfonyl)phenyl]pyridine;1-[3-(6-tert-butyl-2-pyridinyl)-4-chlorophenyl]ethanone;3-(6-tert-butyl-2-pyridinyl)-N,4-dimethyl-N-methylsulfonylbenzamide;3-(6-tert-butyl-2-pyridinyl)-N-ethylsulfonyl-4-methylbenzamide;3-(6-tert-butyl-2-pyridinyl)-4-methyl-N-methylsulfonylbenzamide

2-tert-butyl-6-(2-chloro-5-ethylsulfinylphenyl)pyridine;2-tert-butyl-6-(2-chloro-5-methylsulfinylphenyl)pyridine;2-tert-butyl-6-(2-methyl-5-methylsulfonylphenyl)pyridine;2-tert-butyl-6-[2-methyl-5-(trifluoromethylsulfonyl)phenyl]pyridine;1-[3-(6-tert-butyl-2-pyridinyl)-4-chlorophenyl]ethanone;3-(6-tert-butyl-2-pyridinyl)-N,4-dimethyl-N-methylsulfonylbenzamide;3-(6-tert-butyl-2-pyridinyl)-N-ethylsulfonyl-4-methylbenzamide;3-(6-tert-butyl-2-pyridinyl)-4-methyl-N-methylsulfonylbenzamide (PubChem CID 158957645) has the molecular formula C140H165Cl3F3N11O16S7 and a molecular weight of 2645.74 g/mol. Its IUPAC name is 2-tert-butyl-6-(2-chloro-5-ethylsulfinylphenyl)pyridine;2-tert-butyl-6-(2-chloro-5-methylsulfinylphenyl)pyridine;2-tert-butyl-6-(2-methyl-5-methylsulfonylphenyl)pyridine;2-tert-butyl-6-[2-methyl-5-(trifluoromethylsulfonyl)phenyl]pyridine;1-[3-(6-tert-butyl-2-pyridinyl)-4-chlorophenyl]ethanone;3-(6-tert-butyl-2-pyridinyl)-N,4-dimethyl-N-methylsulfonylbenzamide;3-(6-tert-butyl-2-pyridinyl)-N-ethylsulfonyl-4-methylbenzamide;3-(6-tert-butyl-2-pyridinyl)-4-methyl-N-methylsulfonylbenzamide.

Molecular Properties

Compound Name2-tert-butyl-6-(2-chloro-5-ethylsulfinylphenyl)pyridine;2-tert-butyl-6-(2-chloro-5-methylsulfinylphenyl)pyridine;2-tert-butyl-6-(2-methyl-5-methylsulfonylphenyl)pyridine;2-tert-butyl-6-[2-methyl-5-(trifluoromethylsulfonyl)phenyl]pyridine;1-[3-(6-tert-butyl-2-pyridinyl)-4-chlorophenyl]ethanone;3-(6-tert-butyl-2-pyridinyl)-N,4-dimethyl-N-methylsulfonylbenzamide;3-(6-tert-butyl-2-pyridinyl)-N-ethylsulfonyl-4-methylbenzamide;3-(6-tert-butyl-2-pyridinyl)-4-methyl-N-methylsulfonylbenzamide
PubChem CID158957645
Molecular FormulaC140H165Cl3F3N11O16S7
Molecular Weight2645.74 g/mol
Exact Mass2641.95
IUPAC Name2-tert-butyl-6-(2-chloro-5-ethylsulfinylphenyl)pyridine;2-tert-butyl-6-(2-chloro-5-methylsulfinylphenyl)pyridine;2-tert-butyl-6-(2-methyl-5-methylsulfonylphenyl)pyridine;2-tert-butyl-6-[2-methyl-5-(trifluoromethylsulfonyl)phenyl]pyridine;1-[3-(6-tert-butyl-2-pyridinyl)-4-chlorophenyl]ethanone;3-(6-tert-butyl-2-pyridinyl)-N,4-dimethyl-N-methylsulfonylbenzamide;3-(6-tert-butyl-2-pyridinyl)-N-ethylsulfonyl-4-methylbenzamide;3-(6-tert-butyl-2-pyridinyl)-4-methyl-N-methylsulfonylbenzamide
SMILESCC(=O)c1ccc(Cl)c(-c2cccc(C(C)(C)C)n2)c1.CCS(=O)(=O)NC(=O)c1ccc(C)c(-c2cccc(C(C)(C)C)n2)c1.CCS(=O)c1ccc(Cl)c(-c2cccc(C(C)(C)C)n2)c1.CS(=O)c1ccc(Cl)c(-c2cccc(C(C)(C)C)n2)c1.Cc1ccc(C(=O)N(C)S(C)(=O)=O)cc1-c1cccc(C(C)(C)C)n1.Cc1ccc(C(=O)NS(C)(=O)=O)cc1-c1cccc(C(C)(C)C)n1.Cc1ccc(S(=O)(=O)C(F)(F)F)cc1-c1cccc(C(C)(C)C)n1.Cc1ccc(S(C)(=O)=O)cc1-c1cccc(C(C)(C)C)n1
InChIInChI=1S/2C19H24N2O3S.C18H22N2O3S.C17H20ClNOS.C17H18ClNO.C17H18F3NO2S.C17H21NO2S.C16H18ClNOS/c1-13-10-11-14(18(22)21(5)25(6,23)24)12-15(13)16-8-7-9-17(20-16)19(2,3)4;1-6-25(23,24)21-18(22)14-11-10-13(2)15(12-14)16-8-7-9-17(20-16)19(3,4)5;1-12-9-10-13(17(21)20-24(5,22)23)11-14(12)15-7-6-8-16(19-15)18(2,3)4;1-5-21(20)12-9-10-14(18)13(11-12)15-7-6-8-16(19-15)17(2,3)4;1-11(20)12-8-9-14(18)13(10-12)15-6-5-7-16(19-15)17(2,3)4;1-11-8-9-12(24(22,23)17(18,19)20)10-13(11)14-6-5-7-15(21-14)16(2,3)4;1-12-9-10-13(21(5,19)20)11-14(12)15-7-6-8-16(18-15)17(2,3)4;1-16(2,3)15-7-5-6-14(18-15)12-10-11(20(4)19)8-9-13(12)17/h7-12H,1-6H3;7-12H,6H2,1-5H3,(H,21,22);6-11H,1-5H3,(H,20,21);6-11H,5H2,1-4H3;5-10H,1-4H3;5-10H,1-4H3;6-11H,1-5H3;5-10H,1-4H3
InChIKeyJMFCVMOAANEJPG-UHFFFAOYSA-N
XLogP32.44
TPSA403.54 Ų
H-Bond Donors2
H-Bond Acceptors24
Rotatable Bonds21
Heavy Atoms180
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002645.74
LogP ≤ 532.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1024

Analyze 2-tert-butyl-6-(2-chloro-5-ethylsulfinylphenyl)pyridine;2-tert-butyl-6-(2-chloro-5-methylsulfinylphenyl)pyridine;2-tert-butyl-6-(2-methyl-5-methylsulfonylphenyl)pyridine;2-tert-butyl-6-[2-methyl-5-(trifluoromethylsulfonyl)phenyl]pyridine;1-[3-(6-tert-butyl-2-pyridinyl)-4-chlorophenyl]ethanone;3-(6-tert-butyl-2-pyridinyl)-N,4-dimethyl-N-methylsulfonylbenzamide;3-(6-tert-butyl-2-pyridinyl)-N-ethylsulfonyl-4-methylbenzamide;3-(6-tert-butyl-2-pyridinyl)-4-methyl-N-methylsulfonylbenzamide with MolForge

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Launch Full Analysis

Related Compounds

N-[[2-tert-butyl-6-[2-chloro-5-(trifluoromethylsulfonyl)phenyl]pyridin-4-yl]methylsulfonyl]-3-(6-tert-butylpyridin-2-yl)-4-chlorobenzamide
CID 130410087
1-[3-tert-butyl-5-(2-chlorophenyl)-4-fluorophenyl]ethanone;2-tert-butyl-6-[2-chloro-5-(trifluoromethylsulfonyl)phenyl]pyridine;1-tert-butyl-2-fluoro-3-(2-methyl-5-methylsulfanylphenyl)benzene;tris(1-[3-tert-butyl-4-fluoro-5-(2-methylphenyl)phenyl]ethanone);2-tert-butyl-6-(2-methyl-5-methylsulfinylphenyl)pyridine;tetrakis(1-[2-tert-butyl-6-(2-methylphenyl)-4-pyridinyl]ethanone);3-(6-tert-butyl-2-pyridinyl)-4-methyl-N-methylsulfonylbenzamide
CID 157128751
2-tert-butyl-6-(2-chloro-5-methylsulfinylphenyl)pyridine;2-tert-butyl-6-(2-chloro-5-methylsulfonylphenyl)pyridine;2-tert-butyl-6-[2-chloro-5-(trifluoromethylsulfonyl)phenyl]pyridine;3-(6-tert-butyl-2-pyridinyl)-4-chloro-N-methyl-N-methylsulfonylbenzamide;3-(6-tert-butyl-2-pyridinyl)-4-chloro-N-methylsulfonylbenzamide
CID 158575302
[6-[(5-Tert-butyl-2-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-[(2-chloro-4-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-[(2-chloro-6-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-[(3-chloro-4-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-[(3-chloro-5-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;2-[1-(4-methylpiperidin-1-yl)ethenyl]-6-[[2-(trifluoromethyl)phenyl]sulfonylmethyl]pyridine
CID 159169699
2-tert-butyl-6-(5-ethylsulfinyl-2-methylphenyl)pyridine;2-tert-butyl-6-(2-methyl-5-methylsulfinylphenyl)pyridine;2-tert-butyl-6-(2-methyl-5-methylsulfonylphenyl)pyridine;1-[2-tert-butyl-6-(2-methylphenyl)-4-pyridinyl]ethanone;2-tert-butyl-6-[2-methyl-5-(trifluoromethylsulfonyl)phenyl]pyridine;3-(6-tert-butyl-2-pyridinyl)-N,4-dimethyl-N-methylsulfonylbenzamide;3-(6-tert-butyl-2-pyridinyl)-N-ethylsulfonyl-4-methylbenzamide;3-(6-tert-butyl-2-pyridinyl)-4-methyl-N-methylsulfonylbenzamide;1-[3-(6-tert-butyl-2-pyridinyl)-4-methylphenyl]ethanone
CID 159546733
2-Tert-butyl-4-[5-[2-methyl-4-(4-methylpiperidin-1-yl)sulfonylphenyl]-3-pyridinyl]pyridine;2-tert-butyl-4-[5-(2-methyl-4-methylsulfonylphenyl)-3-pyridinyl]pyridine;1-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]ethanone;[3-chloro-4-[5-[2-(4,4-difluorocyclohexen-1-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(4,4-difluorocyclohexyl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone
CID 159970418
tris(1-[3-tert-butyl-4-fluoro-5-(2-methylphenyl)phenyl]ethanone);2-tert-butyl-6-(2-methyl-5-methylsulfinylphenyl)pyridine;2-tert-butyl-6-(2-methyl-5-methylsulfonylphenyl)pyridine;tetrakis(1-[2-tert-butyl-6-(2-methylphenyl)-4-pyridinyl]ethanone);2-tert-butyl-6-[2-methyl-5-(trifluoromethylsulfonyl)phenyl]pyridine;3-(6-tert-butyl-2-pyridinyl)-N,4-dimethyl-N-methylsulfonylbenzamide;3-(6-tert-butyl-2-pyridinyl)-4-methyl-N-methylsulfonylbenzamide
CID 160304779
2-tert-butyl-6-(2-chloro-5-ethylsulfinylphenyl)pyridine;2-tert-butyl-6-(2-chloro-5-methylsulfinylphenyl)pyridine;2-tert-butyl-6-(2-chloro-5-methylsulfonylphenyl)pyridine;2-tert-butyl-6-[2-chloro-5-(trifluoromethylsulfonyl)phenyl]pyridine;3-(6-tert-butyl-2-pyridinyl)-4-chloro-N-ethylsulfonylbenzamide;3-(6-tert-butyl-2-pyridinyl)-4-chloro-N-methyl-N-methylsulfonylbenzamide;3-(6-tert-butyl-2-pyridinyl)-4-chloro-N-methylsulfonylbenzamide;1-[3-(6-tert-butyl-2-pyridinyl)-4-chlorophenyl]ethanone
CID 160365142
1-tert-butyl-2-fluoro-3-(2-methyl-5-methylsulfanylphenyl)benzene;tetrakis(1-[3-tert-butyl-4-fluoro-5-(2-methylphenyl)phenyl]ethanone);2-tert-butyl-6-(2-methyl-5-methylsulfinylphenyl)pyridine;tetrakis(1-[2-tert-butyl-6-(2-methylphenyl)-4-pyridinyl]ethanone);2-tert-butyl-6-[2-methyl-5-(trifluoromethylsulfonyl)phenyl]pyridine;N-[3-(6-tert-butyl-2-pyridinyl)-4-methylphenyl]sulfinylmethanesulfonamide
CID 160960832
2-tert-butyl-6-(5-ethylsulfinyl-2-methylphenyl)pyridine;2-tert-butyl-6-(2-methyl-5-methylsulfinylphenyl)pyridine;2-tert-butyl-6-(2-methyl-5-methylsulfonylphenyl)pyridine;2-tert-butyl-6-[2-methyl-5-(trifluoromethylsulfonyl)phenyl]pyridine;3-(6-tert-butyl-2-pyridinyl)-N,4-dimethyl-N-methylsulfonylbenzamide;3-(6-tert-butyl-2-pyridinyl)-N-ethylsulfonyl-4-methylbenzamide;3-(6-tert-butyl-2-pyridinyl)-4-methyl-N-methylsulfonylbenzamide;1-[3-(6-tert-butyl-2-pyridinyl)-4-methylphenyl]ethanone
CID 161213588
2-Tert-butyl-4-[5-[2-methyl-4-(4-methylpiperidin-1-yl)sulfonylphenyl]-3-pyridinyl]pyridine;2-tert-butyl-4-[5-(2-methyl-4-methylsulfonylphenyl)-3-pyridinyl]pyridine;1-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]ethanone;1-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-methylphenyl]sulfonyl-3-propan-2-ylurea;[3-chloro-4-[5-[2-(4,4-difluorocyclohexen-1-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(4,4-difluorocyclohexyl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone
CID 161471042
[6-[(2-Chloro-3-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-[(2,4-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-[(3,5-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-[(4-ethylphenyl)sulfonylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-[(2-fluorophenyl)sulfonylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-[(3-fluorophenyl)sulfonylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 158153430

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-(2-chloro-5-ethylsulfinylphenyl)pyridine;2-tert-butyl-6-(2-chloro-5-methylsulfinylphenyl)pyridine;2-tert-butyl-6-(2-methyl-5-methylsulfonylphenyl)pyridine;2-tert-butyl-6-[2-methyl-5-(trifluoromethylsulfonyl)phenyl]pyridine;1-[3-(6-tert-butyl-2-pyridinyl)-4-chlorophenyl]ethanone;3-(6-tert-butyl-2-pyridinyl)-N,4-dimethyl-N-methylsulfonylbenzamide;3-(6-tert-butyl-2-pyridinyl)-N-ethylsulfonyl-4-methylbenzamide;3-(6-tert-butyl-2-pyridinyl)-4-methyl-N-methylsulfonylbenzamide?
The IUPAC name of 2-tert-butyl-6-(2-chloro-5-ethylsulfinylphenyl)pyridine;2-tert-butyl-6-(2-chloro-5-methylsulfinylphenyl)pyridine;2-tert-butyl-6-(2-methyl-5-methylsulfonylphenyl)pyridine;2-tert-butyl-6-[2-methyl-5-(trifluoromethylsulfonyl)phenyl]pyridine;1-[3-(6-tert-butyl-2-pyridinyl)-4-chlorophenyl]ethanone;3-(6-tert-butyl-2-pyridinyl)-N,4-dimethyl-N-methylsulfonylbenzamide;3-(6-tert-butyl-2-pyridinyl)-N-ethylsulfonyl-4-methylbenzamide;3-(6-tert-butyl-2-pyridinyl)-4-methyl-N-methylsulfonylbenzamide (CID 158957645) is 2-tert-butyl-6-(2-chloro-5-ethylsulfinylphenyl)pyridine;2-tert-butyl-6-(2-chloro-5-methylsulfinylphenyl)pyridine;2-tert-butyl-6-(2-methyl-5-methylsulfonylphenyl)pyridine;2-tert-butyl-6-[2-methyl-5-(trifluoromethylsulfonyl)phenyl]pyridine;1-[3-(6-tert-butyl-2-pyridinyl)-4-chlorophenyl]ethanone;3-(6-tert-butyl-2-pyridinyl)-N,4-dimethyl-N-methylsulfonylbenzamide;3-(6-tert-butyl-2-pyridinyl)-N-ethylsulfonyl-4-methylbenzamide;3-(6-tert-butyl-2-pyridinyl)-4-methyl-N-methylsulfonylbenzamide.
What is the SMILES notation for 2-tert-butyl-6-(2-chloro-5-ethylsulfinylphenyl)pyridine;2-tert-butyl-6-(2-chloro-5-methylsulfinylphenyl)pyridine;2-tert-butyl-6-(2-methyl-5-methylsulfonylphenyl)pyridine;2-tert-butyl-6-[2-methyl-5-(trifluoromethylsulfonyl)phenyl]pyridine;1-[3-(6-tert-butyl-2-pyridinyl)-4-chlorophenyl]ethanone;3-(6-tert-butyl-2-pyridinyl)-N,4-dimethyl-N-methylsulfonylbenzamide;3-(6-tert-butyl-2-pyridinyl)-N-ethylsulfonyl-4-methylbenzamide;3-(6-tert-butyl-2-pyridinyl)-4-methyl-N-methylsulfonylbenzamide?
The canonical SMILES for 2-tert-butyl-6-(2-chloro-5-ethylsulfinylphenyl)pyridine;2-tert-butyl-6-(2-chloro-5-methylsulfinylphenyl)pyridine;2-tert-butyl-6-(2-methyl-5-methylsulfonylphenyl)pyridine;2-tert-butyl-6-[2-methyl-5-(trifluoromethylsulfonyl)phenyl]pyridine;1-[3-(6-tert-butyl-2-pyridinyl)-4-chlorophenyl]ethanone;3-(6-tert-butyl-2-pyridinyl)-N,4-dimethyl-N-methylsulfonylbenzamide;3-(6-tert-butyl-2-pyridinyl)-N-ethylsulfonyl-4-methylbenzamide;3-(6-tert-butyl-2-pyridinyl)-4-methyl-N-methylsulfonylbenzamide is CC(=O)c1ccc(Cl)c(-c2cccc(C(C)(C)C)n2)c1.CCS(=O)(=O)NC(=O)c1ccc(C)c(-c2cccc(C(C)(C)C)n2)c1.CCS(=O)c1ccc(Cl)c(-c2cccc(C(C)(C)C)n2)c1.CS(=O)c1ccc(Cl)c(-c2cccc(C(C)(C)C)n2)c1.Cc1ccc(C(=O)N(C)S(C)(=O)=O)cc1-c1cccc(C(C)(C)C)n1.Cc1ccc(C(=O)NS(C)(=O)=O)cc1-c1cccc(C(C)(C)C)n1.Cc1ccc(S(=O)(=O)C(F)(F)F)cc1-c1cccc(C(C)(C)C)n1.Cc1ccc(S(C)(=O)=O)cc1-c1cccc(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-6-(2-chloro-5-ethylsulfinylphenyl)pyridine;2-tert-butyl-6-(2-chloro-5-methylsulfinylphenyl)pyridine;2-tert-butyl-6-(2-methyl-5-methylsulfonylphenyl)pyridine;2-tert-butyl-6-[2-methyl-5-(trifluoromethylsulfonyl)phenyl]pyridine;1-[3-(6-tert-butyl-2-pyridinyl)-4-chlorophenyl]ethanone;3-(6-tert-butyl-2-pyridinyl)-N,4-dimethyl-N-methylsulfonylbenzamide;3-(6-tert-butyl-2-pyridinyl)-N-ethylsulfonyl-4-methylbenzamide;3-(6-tert-butyl-2-pyridinyl)-4-methyl-N-methylsulfonylbenzamide?
The InChIKey is JMFCVMOAANEJPG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H24N2O3S.C18H22N2O3S.C17H20ClNOS.C17H18ClNO.C17H18F3NO2S.C17H21NO2S.C16H18ClNOS/c1-13-10-11-14(18(22)21(5)25(6,23)24)12-15(13)16-8-7-9-17(20-16)19(2,3)4;1-6-25(23,24)21-18(22)14-11-10-13(2)15(12-14)16-8-7-9-17(20-16)19(3,4)5;1-12-9-10-13(17(21)20-24(5,22)23)11-14(12)15-7-6-8-16(19-15)18(2,3)4;1-5-21(20)12-9-10-14(18)13(11-12)15-7-6-8-16(19-15)17(2,3)4;1-11(20)12-8-9-14(18)13(10-12)15-6-5-7-16(19-15)17(2,3)4;1-11-8-9-12(24(22,23)17(18,19)20)10-13(11)14-6-5-7-15(21-14)16(2,3)4;1-12-9-10-13(21(5,19)20)11-14(12)15-7-6-8-16(18-15)17(2,3)4;1-16(2,3)15-7-5-6-14(18-15)12-10-11(20(4)19)8-9-13(12)17/h7-12H,1-6H3;7-12H,6H2,1-5H3,(H,21,22);6-11H,1-5H3,(H,20,21);6-11H,5H2,1-4H3;5-10H,1-4H3;5-10H,1-4H3;6-11H,1-5H3;5-10H,1-4H3.
What are the key properties of 2-tert-butyl-6-(2-chloro-5-ethylsulfinylphenyl)pyridine;2-tert-butyl-6-(2-chloro-5-methylsulfinylphenyl)pyridine;2-tert-butyl-6-(2-methyl-5-methylsulfonylphenyl)pyridine;2-tert-butyl-6-[2-methyl-5-(trifluoromethylsulfonyl)phenyl]pyridine;1-[3-(6-tert-butyl-2-pyridinyl)-4-chlorophenyl]ethanone;3-(6-tert-butyl-2-pyridinyl)-N,4-dimethyl-N-methylsulfonylbenzamide;3-(6-tert-butyl-2-pyridinyl)-N-ethylsulfonyl-4-methylbenzamide;3-(6-tert-butyl-2-pyridinyl)-4-methyl-N-methylsulfonylbenzamide?
2-tert-butyl-6-(2-chloro-5-ethylsulfinylphenyl)pyridine;2-tert-butyl-6-(2-chloro-5-methylsulfinylphenyl)pyridine;2-tert-butyl-6-(2-methyl-5-methylsulfonylphenyl)pyridine;2-tert-butyl-6-[2-methyl-5-(trifluoromethylsulfonyl)phenyl]pyridine;1-[3-(6-tert-butyl-2-pyridinyl)-4-chlorophenyl]ethanone;3-(6-tert-butyl-2-pyridinyl)-N,4-dimethyl-N-methylsulfonylbenzamide;3-(6-tert-butyl-2-pyridinyl)-N-ethylsulfonyl-4-methylbenzamide;3-(6-tert-butyl-2-pyridinyl)-4-methyl-N-methylsulfonylbenzamide has a molecular weight of 2645.74 g/mol, XLogP of 32.44, 21 rotatable bonds, 2 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-(2-chloro-5-ethylsulfinylphenyl)pyridine;2-tert-butyl-6-(2-chloro-5-methylsulfinylphenyl)pyridine;2-tert-butyl-6-(2-methyl-5-methylsulfonylphenyl)pyridine;2-tert-butyl-6-[2-methyl-5-(trifluoromethylsulfonyl)phenyl]pyridine;1-[3-(6-tert-butyl-2-pyridinyl)-4-chlorophenyl]ethanone;3-(6-tert-butyl-2-pyridinyl)-N,4-dimethyl-N-methylsulfonylbenzamide;3-(6-tert-butyl-2-pyridinyl)-N-ethylsulfonyl-4-methylbenzamide;3-(6-tert-butyl-2-pyridinyl)-4-methyl-N-methylsulfonylbenzamide is sourced from PubChem (CID 158957645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).