[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

C125H147Cl4F3N12O17S6 — CID 159169699

IUPAC[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
SMILESC=C(c1cccc(CS(=O)(=O)c2ccccc2C(F)(F)F)n1)N1CCC(C)CC1.Cc1cc(Cl)cc(S(=O)(=O)Cc2cccc(C(=O)N3CCC(C)CC3)n2)c1.Cc1ccc(C(C)(C)C)cc1S(=O)(=O)Cc1cccc(C(=O)N2CCC(C)CC2)n1.Cc1ccc(S(=O)(=O)Cc2cccc(C(=O)N3CCC(C)CC3)n2)c(Cl)c1.Cc1ccc(S(=O)(=O)Cc2cccc(C(=O)N3CCC(C)CC3)n2)cc1Cl.Cc1cccc(Cl)c1S(=O)(=O)Cc1cccc(C(=O)N2CCC(C)CC2)n1
InChIInChI=1S/C24H32N2O3S.C21H23F3N2O2S.4C20H23ClN2O3S/c1-17-11-13-26(14-12-17)23(27)21-8-6-7-20(25-21)16-30(28,29)22-15-19(24(3,4)5)10-9-18(22)2;1-15-10-12-26(13-11-15)16(2)19-8-5-6-17(25-19)14-29(27,28)20-9-4-3-7-18(20)21(22,23)24;1-14-9-11-23(12-10-14)20(24)18-8-4-6-16(22-18)13-27(25,26)19-15(2)5-3-7-17(19)21;1-14-6-8-23(9-7-14)20(24)19-5-3-4-17(22-19)13-27(25,26)18-11-15(2)10-16(21)12-18;1-14-8-10-23(11-9-14)20(24)19-5-3-4-16(22-19)13-27(25,26)17-7-6-15(2)18(21)12-17;1-14-8-10-23(11-9-14)20(24)18-5-3-4-16(22-18)13-27(25,26)19-7-6-15(2)12-17(19)21/h6-10,15,17H,11-14,16H2,1-5H3;3-9,15H,2,10-14H2,1H3;3-8,14H,9-13H2,1-2H3;3-5,10-12,14H,6-9,13H2,1-2H3;2*3-7,12,14H,8-11,13H2,1-2H3
InChIKeyKLNHTEXCKGMSRE-UHFFFAOYSA-N
MW2480.83 g/mol
LogP24.87
Rot. Bonds25

About [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

[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 (PubChem CID 159169699) has the molecular formula C125H147Cl4F3N12O17S6 and a molecular weight of 2480.83 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID159169699
Molecular FormulaC125H147Cl4F3N12O17S6
Molecular Weight2480.83 g/mol
Exact Mass2476.80
IUPAC Name[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
SMILESC=C(c1cccc(CS(=O)(=O)c2ccccc2C(F)(F)F)n1)N1CCC(C)CC1.Cc1cc(Cl)cc(S(=O)(=O)Cc2cccc(C(=O)N3CCC(C)CC3)n2)c1.Cc1ccc(C(C)(C)C)cc1S(=O)(=O)Cc1cccc(C(=O)N2CCC(C)CC2)n1.Cc1ccc(S(=O)(=O)Cc2cccc(C(=O)N3CCC(C)CC3)n2)c(Cl)c1.Cc1ccc(S(=O)(=O)Cc2cccc(C(=O)N3CCC(C)CC3)n2)cc1Cl.Cc1cccc(Cl)c1S(=O)(=O)Cc1cccc(C(=O)N2CCC(C)CC2)n1
InChIInChI=1S/C24H32N2O3S.C21H23F3N2O2S.4C20H23ClN2O3S/c1-17-11-13-26(14-12-17)23(27)21-8-6-7-20(25-21)16-30(28,29)22-15-19(24(3,4)5)10-9-18(22)2;1-15-10-12-26(13-11-15)16(2)19-8-5-6-17(25-19)14-29(27,28)20-9-4-3-7-18(20)21(22,23)24;1-14-9-11-23(12-10-14)20(24)18-8-4-6-16(22-18)13-27(25,26)19-15(2)5-3-7-17(19)21;1-14-6-8-23(9-7-14)20(24)19-5-3-4-17(22-19)13-27(25,26)18-11-15(2)10-16(21)12-18;1-14-8-10-23(11-9-14)20(24)19-5-3-4-16(22-19)13-27(25,26)17-7-6-15(2)18(21)12-17;1-14-8-10-23(11-9-14)20(24)18-5-3-4-16(22-18)13-27(25,26)19-7-6-15(2)12-17(19)21/h6-10,15,17H,11-14,16H2,1-5H3;3-9,15H,2,10-14H2,1H3;3-8,14H,9-13H2,1-2H3;3-5,10-12,14H,6-9,13H2,1-2H3;2*3-7,12,14H,8-11,13H2,1-2H3
InChIKeyKLNHTEXCKGMSRE-UHFFFAOYSA-N
XLogP24.87
TPSA386.97 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds25
Heavy Atoms167
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002480.83
LogP ≤ 524.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Analyze [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 with MolForge

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Related Compounds

6-[(2-chloro-3-methylphenyl)sulfanylmethyl]-N,N-diethylpyridine-2-carboxamide;[6-[(2-chloro-3-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(2,5-dimethylpyrrolidin-1-yl)methanone;[6-[(2-chloro-3-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(5-ethyl-2-methylpiperidin-1-yl)methanone;N-[1-[6-[(2,3-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]ethenyl]-2,2,2-trifluoroethanamine;[6-[(2,3-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]-[(3R)-3-ethyl-3,5,5-trimethylazepan-1-yl]methanone
CID 157173627
[6-[(2-Chloro-3-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-[(3-chloro-5-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-[(2,4-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-[(2,6-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-[[3-(1,1-difluoroethyl)phenyl]sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-[(2-fluorophenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;(4-methylpiperidin-1-yl)-[6-[(4-propan-2-ylphenyl)sulfanylmethyl]-2-pyridinyl]methanone
CID 157449633
Azocan-1-yl-[6-[(2,4-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]methanone;[6-[(2,4-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(2,6-dimethylpiperidin-1-yl)methanone;[6-[(2,4-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone;[6-[(2,4-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(2-methylpiperidin-1-yl)methanone;(2-propylpiperidin-1-yl)-[6-[[3-(trifluoromethyl)phenyl]sulfonylmethyl]-2-pyridinyl]methanone
CID 158032931
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[6-[(2,6-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]methanone;[6-[(2,6-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]-[4-(1,1-difluoroethyl)piperidin-1-yl]methanone;[6-[(2,6-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone;bis([6-[(2,6-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone);[6-[(2,6-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]-(4-phenylpiperidin-1-yl)methanone
CID 158180156
[6-[(2-chloro-6-methylphenyl)sulfonylmethyl]-2-pyridinyl]-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone;[(2R,6S)-2,6-dimethylpiperidin-1-yl]-[6-[(methylidene-naphthalen-1-yl-oxo-lambda6-sulfanyl)methyl]-2-pyridinyl]methanone;(4-fluoro-4-methylpiperidin-1-yl)-[6-(naphthalen-1-ylsulfonylmethyl)-2-pyridinyl]methanone;[6-[(methylidene-naphthalen-1-yl-oxo-lambda6-sulfanyl)methyl]-2-pyridinyl]-(2-phenylpiperidin-1-yl)methanone;[6-[[3-(trifluoromethyl)phenyl]sulfonylmethyl]-2-pyridinyl]-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone
CID 158437049
Azocan-1-yl-[6-[[3-(trifluoromethyl)phenyl]sulfonylmethyl]-2-pyridinyl]methanone;[6-[(2,5-dichloro-4-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(2-propylpiperidin-1-yl)methanone;(2,6-dimethylpiperidin-1-yl)-[6-[[3-(trifluoromethyl)phenyl]sulfonylmethyl]-2-pyridinyl]methanone;(3,3-dimethylpiperidin-1-yl)-[6-[[3-(trifluoromethyl)phenyl]sulfonylmethyl]-2-pyridinyl]methanone;(2-ethylpiperidin-1-yl)-[6-[[3-(trifluoromethyl)phenyl]sulfonylmethyl]-2-pyridinyl]methanone;(2-methylpiperidin-1-yl)-[6-[[3-(trifluoromethyl)phenyl]sulfonylmethyl]-2-pyridinyl]methanone
CID 158823625
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
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
[6-[[3-(1,1-Difluoroethyl)phenyl]sulfanylmethyl]-2-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone;[6-[[3-(1,1-difluoroethyl)phenyl]sulfanylmethyl]-2-pyridinyl]-(4-phenylpiperidin-1-yl)methanone;(3,3-dimethylpiperidin-1-yl)-[6-[[3-(trifluoromethyl)phenyl]sulfanylmethyl]-2-pyridinyl]methanone;(3-methylpiperidin-1-yl)-[6-[[3-(trifluoromethyl)phenyl]sulfanylmethyl]-2-pyridinyl]methanone
CID 161757995
[6-[(2-chloro-6-methylphenyl)sulfonylmethyl]-2-pyridinyl]-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone;[6-[(2-chloro-6-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(5-ethyl-2-methylpiperidin-1-yl)methanone;[6-[(2-chloro-6-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone;[6-[(2-chloro-6-methylphenyl)sulfonylmethyl]-2-pyridinyl]-[4-(4-methylphenyl)piperidin-1-yl]methanone;[6-[(2-chloro-6-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(2-phenylpiperidin-1-yl)methanone;[6-[(2-chloro-6-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(4-propylpiperidin-1-yl)methanone
CID 123219068
[6-[(2,6-Dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(3,3-dimethylpiperidin-1-yl)methanone;[6-[(2,6-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(4-phenylpiperidin-1-yl)methanone
CID 123619367
[6-[(2-Chloro-3-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(2-methylpiperidin-1-yl)methanone;[6-[(2,3-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(4-fluoro-4-methylpiperidin-1-yl)methanone
CID 123645058

Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is C=C(c1cccc(CS(=O)(=O)c2ccccc2C(F)(F)F)n1)N1CCC(C)CC1.Cc1cc(Cl)cc(S(=O)(=O)Cc2cccc(C(=O)N3CCC(C)CC3)n2)c1.Cc1ccc(C(C)(C)C)cc1S(=O)(=O)Cc1cccc(C(=O)N2CCC(C)CC2)n1.Cc1ccc(S(=O)(=O)Cc2cccc(C(=O)N3CCC(C)CC3)n2)c(Cl)c1.Cc1ccc(S(=O)(=O)Cc2cccc(C(=O)N3CCC(C)CC3)n2)cc1Cl.Cc1cccc(Cl)c1S(=O)(=O)Cc1cccc(C(=O)N2CCC(C)CC2)n1.
What is the InChIKey of [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?
The InChIKey is KLNHTEXCKGMSRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O3S.C21H23F3N2O2S.4C20H23ClN2O3S/c1-17-11-13-26(14-12-17)23(27)21-8-6-7-20(25-21)16-30(28,29)22-15-19(24(3,4)5)10-9-18(22)2;1-15-10-12-26(13-11-15)16(2)19-8-5-6-17(25-19)14-29(27,28)20-9-4-3-7-18(20)21(22,23)24;1-14-9-11-23(12-10-14)20(24)18-8-4-6-16(22-18)13-27(25,26)19-15(2)5-3-7-17(19)21;1-14-6-8-23(9-7-14)20(24)19-5-3-4-17(22-19)13-27(25,26)18-11-15(2)10-16(21)12-18;1-14-8-10-23(11-9-14)20(24)19-5-3-4-16(22-19)13-27(25,26)17-7-6-15(2)18(21)12-17;1-14-8-10-23(11-9-14)20(24)18-5-3-4-16(22-18)13-27(25,26)19-7-6-15(2)12-17(19)21/h6-10,15,17H,11-14,16H2,1-5H3;3-9,15H,2,10-14H2,1H3;3-8,14H,9-13H2,1-2H3;3-5,10-12,14H,6-9,13H2,1-2H3;2*3-7,12,14H,8-11,13H2,1-2H3.
What are the key properties of [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?
[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 has a molecular weight of 2480.83 g/mol, XLogP of 24.87, 25 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 159169699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).