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

C126H139Cl2F15N12O18S6 — CID 158823625

IUPACazocan-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
SMILESCC1(C)CCCN(C(=O)c2cccc(CS(=O)(=O)c3cccc(C(F)(F)F)c3)n2)C1.CC1CCCC(C)N1C(=O)c1cccc(CS(=O)(=O)c2cccc(C(F)(F)F)c2)n1.CC1CCCCN1C(=O)c1cccc(CS(=O)(=O)c2cccc(C(F)(F)F)c2)n1.CCC1CCCCN1C(=O)c1cccc(CS(=O)(=O)c2cccc(C(F)(F)F)c2)n1.CCCC1CCCCN1C(=O)c1cccc(CS(=O)(=O)c2cc(Cl)c(C)cc2Cl)n1.O=C(c1cccc(CS(=O)(=O)c2cccc(C(F)(F)F)c2)n1)N1CCCCCCC1
InChIInChI=1S/C22H26Cl2N2O3S.4C21H23F3N2O3S.C20H21F3N2O3S/c1-3-7-17-9-4-5-11-26(17)22(27)20-10-6-8-16(25-20)14-30(28,29)21-13-18(23)15(2)12-19(21)24;1-20(2)10-5-11-26(14-20)19(27)18-9-4-7-16(25-18)13-30(28,29)17-8-3-6-15(12-17)21(22,23)24;1-14-6-3-7-15(2)26(14)20(27)19-11-5-9-17(25-19)13-30(28,29)18-10-4-8-16(12-18)21(22,23)24;1-2-17-9-3-4-12-26(17)20(27)19-11-6-8-16(25-19)14-30(28,29)18-10-5-7-15(13-18)21(22,23)24;22-21(23,24)16-8-6-10-18(14-16)30(28,29)15-17-9-7-11-19(25-17)20(27)26-12-4-2-1-3-5-13-26;1-14-6-2-3-11-25(14)19(26)18-10-5-8-16(24-18)13-29(27,28)17-9-4-7-15(12-17)20(21,22)23/h6,8,10,12-13,17H,3-5,7,9,11,14H2,1-2H3;3-4,6-9,12H,5,10-11,13-14H2,1-2H3;4-5,8-12,14-15H,3,6-7,13H2,1-2H3;5-8,10-11,13,17H,2-4,9,12,14H2,1H3;6-11,14H,1-5,12-13,15H2;4-5,7-10,12,14H,2-3,6,11,13H2,1H3
InChIKeyIWEHNQZWZKHXCN-UHFFFAOYSA-N
MW2657.84 g/mol
LogP27.33
Rot. Bonds27

About 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

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 (PubChem CID 158823625) has the molecular formula C126H139Cl2F15N12O18S6 and a molecular weight of 2657.84 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nameazocan-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
PubChem CID158823625
Molecular FormulaC126H139Cl2F15N12O18S6
Molecular Weight2657.84 g/mol
Exact Mass2654.78
IUPAC Nameazocan-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
SMILESCC1(C)CCCN(C(=O)c2cccc(CS(=O)(=O)c3cccc(C(F)(F)F)c3)n2)C1.CC1CCCC(C)N1C(=O)c1cccc(CS(=O)(=O)c2cccc(C(F)(F)F)c2)n1.CC1CCCCN1C(=O)c1cccc(CS(=O)(=O)c2cccc(C(F)(F)F)c2)n1.CCC1CCCCN1C(=O)c1cccc(CS(=O)(=O)c2cccc(C(F)(F)F)c2)n1.CCCC1CCCCN1C(=O)c1cccc(CS(=O)(=O)c2cc(Cl)c(C)cc2Cl)n1.O=C(c1cccc(CS(=O)(=O)c2cccc(C(F)(F)F)c2)n1)N1CCCCCCC1
InChIInChI=1S/C22H26Cl2N2O3S.4C21H23F3N2O3S.C20H21F3N2O3S/c1-3-7-17-9-4-5-11-26(17)22(27)20-10-6-8-16(25-20)14-30(28,29)21-13-18(23)15(2)12-19(21)24;1-20(2)10-5-11-26(14-20)19(27)18-9-4-7-16(25-18)13-30(28,29)17-8-3-6-15(12-17)21(22,23)24;1-14-6-3-7-15(2)26(14)20(27)19-11-5-9-17(25-19)13-30(28,29)18-10-4-8-16(12-18)21(22,23)24;1-2-17-9-3-4-12-26(17)20(27)19-11-6-8-16(25-19)14-30(28,29)18-10-5-7-15(13-18)21(22,23)24;22-21(23,24)16-8-6-10-18(14-16)30(28,29)15-17-9-7-11-19(25-17)20(27)26-12-4-2-1-3-5-13-26;1-14-6-2-3-11-25(14)19(26)18-10-5-8-16(24-18)13-29(27,28)17-9-4-7-15(12-17)20(21,22)23/h6,8,10,12-13,17H,3-5,7,9,11,14H2,1-2H3;3-4,6-9,12H,5,10-11,13-14H2,1-2H3;4-5,8-12,14-15H,3,6-7,13H2,1-2H3;5-8,10-11,13,17H,2-4,9,12,14H2,1H3;6-11,14H,1-5,12-13,15H2;4-5,7-10,12,14H,2-3,6,11,13H2,1H3
InChIKeyIWEHNQZWZKHXCN-UHFFFAOYSA-N
XLogP27.33
TPSA404.04 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds27
Heavy Atoms179
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002657.84
LogP ≤ 527.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Analyze 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 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-[[3-(trifluoromethyl)phenyl]sulfonylmethyl]-2-pyridinyl]methanone;[(2R,6S)-2,6-dimethylpiperidin-1-yl]-[6-[[3-(trifluoromethyl)phenyl]sulfonylmethyl]-2-pyridinyl]methanone;(3,5-dimethylpiperidin-1-yl)-[6-[[3-(trifluoromethyl)phenyl]sulfonylmethyl]-2-pyridinyl]methanone;(5-ethyl-2-methylpiperidin-1-yl)-[6-[[3-(trifluoromethyl)phenyl]sulfonylmethyl]-2-pyridinyl]methanone;(2-phenylpiperidin-1-yl)-[6-[[3-(trifluoromethyl)phenyl]sulfonylmethyl]-2-pyridinyl]methanone;(4-propylpiperidin-1-yl)-[6-[[3-(trifluoromethyl)phenyl]sulfonylmethyl]-2-pyridinyl]methanone
CID 158053372
[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
[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
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[6-[(2,5-dichloro-4-methylphenyl)sulfonylmethyl]-2-pyridinyl]methanone;[6-[(2,5-dichloro-4-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 123771148
Azocan-1-yl-[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]methanone;[6-[(2-chloro-6-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(2-propylpiperidin-1-yl)methanone;[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(3,3-dimethylpiperidin-1-yl)methanone;[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone;[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(2-methylpiperidin-1-yl)methanone;[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 157286636
[6-[(2,5-dichloro-4-methylphenyl)sulfonylmethyl]-2-pyridinyl]-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone;[6-[(2,5-dichloro-4-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(2,5-dimethylpyrrolidin-1-yl)methanone;[6-[(2,5-dichloro-4-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(5-ethyl-2-methylpiperidin-1-yl)methanone;[6-[(2,5-dichloro-4-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(2-phenylpiperidin-1-yl)methanone;[6-[(2,5-dichloro-4-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(4-propylpiperidin-1-yl)methanone;(4-fluoro-4-methylpiperidin-1-yl)-[6-[(2,4,5-trichlorophenyl)sulfonylmethyl]-2-pyridinyl]methanone
CID 157702687
Azocan-1-yl-[6-[(2,5-dichloro-4-methylphenyl)sulfonylmethyl]-2-pyridinyl]methanone;[6-[(2,5-dichloro-4-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(2,6-dimethylpiperidin-1-yl)methanone;[6-[(2,5-dichloro-4-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone;[6-[(2,5-dichloro-4-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(2-methylpiperidin-1-yl)methanone;[6-[(2,5-dichloro-4-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone;[6-[(2,5-dichloro-4-methylphenyl)sulfonylmethyl]-2-pyridinyl]-piperidin-1-ylmethanone
CID 157916008
[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
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[6-[(2,5-dichloro-4-methylphenyl)sulfonylmethyl]-2-pyridinyl]methanone;azepan-1-yl-[6-[(2,5-dichloro-4-methylphenyl)sulfonylmethyl]-2-pyridinyl]methanone;[6-[(2,5-dichloro-4-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone;[6-[(2,5-dichloro-4-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone;[6-[(2,5-dichloro-4-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(3,3-dimethylpiperidin-1-yl)methanone;[6-[(2,5-dichloro-4-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone
CID 158361307

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)CCCN(C(=O)c2cccc(CS(=O)(=O)c3cccc(C(F)(F)F)c3)n2)C1.CC1CCCC(C)N1C(=O)c1cccc(CS(=O)(=O)c2cccc(C(F)(F)F)c2)n1.CC1CCCCN1C(=O)c1cccc(CS(=O)(=O)c2cccc(C(F)(F)F)c2)n1.CCC1CCCCN1C(=O)c1cccc(CS(=O)(=O)c2cccc(C(F)(F)F)c2)n1.CCCC1CCCCN1C(=O)c1cccc(CS(=O)(=O)c2cc(Cl)c(C)cc2Cl)n1.O=C(c1cccc(CS(=O)(=O)c2cccc(C(F)(F)F)c2)n1)N1CCCCCCC1.
What is the InChIKey of 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?
The InChIKey is IWEHNQZWZKHXCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26Cl2N2O3S.4C21H23F3N2O3S.C20H21F3N2O3S/c1-3-7-17-9-4-5-11-26(17)22(27)20-10-6-8-16(25-20)14-30(28,29)21-13-18(23)15(2)12-19(21)24;1-20(2)10-5-11-26(14-20)19(27)18-9-4-7-16(25-18)13-30(28,29)17-8-3-6-15(12-17)21(22,23)24;1-14-6-3-7-15(2)26(14)20(27)19-11-5-9-17(25-19)13-30(28,29)18-10-4-8-16(12-18)21(22,23)24;1-2-17-9-3-4-12-26(17)20(27)19-11-6-8-16(25-19)14-30(28,29)18-10-5-7-15(13-18)21(22,23)24;22-21(23,24)16-8-6-10-18(14-16)30(28,29)15-17-9-7-11-19(25-17)20(27)26-12-4-2-1-3-5-13-26;1-14-6-2-3-11-25(14)19(26)18-10-5-8-16(24-18)13-29(27,28)17-9-4-7-15(12-17)20(21,22)23/h6,8,10,12-13,17H,3-5,7,9,11,14H2,1-2H3;3-4,6-9,12H,5,10-11,13-14H2,1-2H3;4-5,8-12,14-15H,3,6-7,13H2,1-2H3;5-8,10-11,13,17H,2-4,9,12,14H2,1H3;6-11,14H,1-5,12-13,15H2;4-5,7-10,12,14H,2-3,6,11,13H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 2657.84 g/mol, XLogP of 27.33, 27 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158823625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).