[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

C140H154Cl6N12O18S6 — CID 123219068

IUPAC[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
SMILESCCC1CCC(C)N(C(=O)c2cccc(CS(=O)(=O)c3c(C)cccc3Cl)n2)C1.CCCC1CCN(C(=O)c2cccc(CS(=O)(=O)c3c(C)cccc3Cl)n2)CC1.Cc1ccc(C2CCN(C(=O)c3cccc(CS(=O)(=O)c4c(C)cccc4Cl)n3)CC2)cc1.Cc1ccc2c(c1)CCCN2C(=O)c1cccc(CS(=O)(=O)c2c(C)cccc2Cl)n1.Cc1cccc(Cl)c1S(=O)(=O)Cc1cccc(C(=O)N2CCCCC2c2ccccc2)n1.Cc1cccc(Cl)c1S(=O)(=O)Cc1cccc(C(=O)N2[C@H](C)CCC[C@@H]2C)n1
InChIInChI=1S/C26H27ClN2O3S.C25H25ClN2O3S.C24H23ClN2O3S.2C22H27ClN2O3S.C21H25ClN2O3S/c1-18-9-11-20(12-10-18)21-13-15-29(16-14-21)26(30)24-8-4-6-22(28-24)17-33(31,32)25-19(2)5-3-7-23(25)27;1-18-9-7-13-21(26)24(18)32(30,31)17-20-12-8-14-22(27-20)25(29)28-16-6-5-15-23(28)19-10-3-2-4-11-19;1-16-11-12-22-18(14-16)7-5-13-27(22)24(28)21-10-4-8-19(26-21)15-31(29,30)23-17(2)6-3-9-20(23)25;1-4-17-12-11-16(3)25(13-17)22(26)20-10-6-8-18(24-20)14-29(27,28)21-15(2)7-5-9-19(21)23;1-3-6-17-11-13-25(14-12-17)22(26)20-10-5-8-18(24-20)15-29(27,28)21-16(2)7-4-9-19(21)23;1-14-7-4-11-18(22)20(14)28(26,27)13-17-10-6-12-19(23-17)21(25)24-15(2)8-5-9-16(24)3/h3-12,21H,13-17H2,1-2H3;2-4,7-14,23H,5-6,15-17H2,1H3;3-4,6,8-12,14H,5,7,13,15H2,1-2H3;5-10,16-17H,4,11-14H2,1-3H3;4-5,7-10,17H,3,6,11-15H2,1-2H3;4,6-7,10-12,15-16H,5,8-9,13H2,1-3H3/t;;;;;15-,16+
InChIKeyBVGXIVPJEUJFON-SEYQEGNISA-N
MW2697.96 g/mol
LogP29.41
Rot. Bonds29

About [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

[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 (PubChem CID 123219068) has the molecular formula C140H154Cl6N12O18S6 and a molecular weight of 2697.96 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID123219068
Molecular FormulaC140H154Cl6N12O18S6
Molecular Weight2697.96 g/mol
Exact Mass2692.80
IUPAC Name[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
SMILESCCC1CCC(C)N(C(=O)c2cccc(CS(=O)(=O)c3c(C)cccc3Cl)n2)C1.CCCC1CCN(C(=O)c2cccc(CS(=O)(=O)c3c(C)cccc3Cl)n2)CC1.Cc1ccc(C2CCN(C(=O)c3cccc(CS(=O)(=O)c4c(C)cccc4Cl)n3)CC2)cc1.Cc1ccc2c(c1)CCCN2C(=O)c1cccc(CS(=O)(=O)c2c(C)cccc2Cl)n1.Cc1cccc(Cl)c1S(=O)(=O)Cc1cccc(C(=O)N2CCCCC2c2ccccc2)n1.Cc1cccc(Cl)c1S(=O)(=O)Cc1cccc(C(=O)N2[C@H](C)CCC[C@@H]2C)n1
InChIInChI=1S/C26H27ClN2O3S.C25H25ClN2O3S.C24H23ClN2O3S.2C22H27ClN2O3S.C21H25ClN2O3S/c1-18-9-11-20(12-10-18)21-13-15-29(16-14-21)26(30)24-8-4-6-22(28-24)17-33(31,32)25-19(2)5-3-7-23(25)27;1-18-9-7-13-21(26)24(18)32(30,31)17-20-12-8-14-22(27-20)25(29)28-16-6-5-15-23(28)19-10-3-2-4-11-19;1-16-11-12-22-18(14-16)7-5-13-27(22)24(28)21-10-4-8-19(26-21)15-31(29,30)23-17(2)6-3-9-20(23)25;1-4-17-12-11-16(3)25(13-17)22(26)20-10-6-8-18(24-20)14-29(27,28)21-15(2)7-5-9-19(21)23;1-3-6-17-11-13-25(14-12-17)22(26)20-10-5-8-18(24-20)15-29(27,28)21-16(2)7-4-9-19(21)23;1-14-7-4-11-18(22)20(14)28(26,27)13-17-10-6-12-19(23-17)21(25)24-15(2)8-5-9-16(24)3/h3-12,21H,13-17H2,1-2H3;2-4,7-14,23H,5-6,15-17H2,1H3;3-4,6,8-12,14H,5,7,13,15H2,1-2H3;5-10,16-17H,4,11-14H2,1-3H3;4-5,7-10,17H,3,6,11-15H2,1-2H3;4,6-7,10-12,15-16H,5,8-9,13H2,1-3H3/t;;;;;15-,16+
InChIKeyBVGXIVPJEUJFON-SEYQEGNISA-N
XLogP29.41
TPSA404.04 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds29
Heavy Atoms182
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002697.96
LogP ≤ 529.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Analyze [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 with MolForge

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Related Compounds

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-[(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-6-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 58211183
[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
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
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
azocan-1-yl-[6-[(2-chloro-3-methylphenyl)sulfonylmethyl]-2-pyridinyl]methanone;N-[2-(2-chloro-6-methylphenyl)ethyl]-6-[(2,6-dimethylphenyl)sulfonylmethyl]pyridine-2-carboxamide;[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(2,5-dimethylpyrrolidin-1-yl)methanone;[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(5-ethyl-2-methylpiperidin-1-yl)methanone;[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone;[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(4-propylpiperidin-1-yl)methanone
CID 158422090
3,4-dihydro-2H-quinolin-1-yl-[6-[(2,4-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]methanone;[6-[(2,4-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(2,6-dimethylpiperidin-1-yl)methanone;[6-[(2,4-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone;[6-[(2,4-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone;[6-[(2,4-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(4-phenylpiperidin-1-yl)methanone
CID 158517866
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]methanone;azepan-1-yl-[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]methanone;3,4-dihydro-1H-isoquinolin-2-yl-[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]methanone;3,4-dihydro-2H-quinolin-1-yl-[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]methanone;[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone;[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(4-phenylpiperidin-1-yl)methanone
CID 158665918

Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is CCC1CCC(C)N(C(=O)c2cccc(CS(=O)(=O)c3c(C)cccc3Cl)n2)C1.CCCC1CCN(C(=O)c2cccc(CS(=O)(=O)c3c(C)cccc3Cl)n2)CC1.Cc1ccc(C2CCN(C(=O)c3cccc(CS(=O)(=O)c4c(C)cccc4Cl)n3)CC2)cc1.Cc1ccc2c(c1)CCCN2C(=O)c1cccc(CS(=O)(=O)c2c(C)cccc2Cl)n1.Cc1cccc(Cl)c1S(=O)(=O)Cc1cccc(C(=O)N2CCCCC2c2ccccc2)n1.Cc1cccc(Cl)c1S(=O)(=O)Cc1cccc(C(=O)N2[C@H](C)CCC[C@@H]2C)n1.
What is the InChIKey of [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?
The InChIKey is BVGXIVPJEUJFON-SEYQEGNISA-N. The full InChI is InChI=1S/C26H27ClN2O3S.C25H25ClN2O3S.C24H23ClN2O3S.2C22H27ClN2O3S.C21H25ClN2O3S/c1-18-9-11-20(12-10-18)21-13-15-29(16-14-21)26(30)24-8-4-6-22(28-24)17-33(31,32)25-19(2)5-3-7-23(25)27;1-18-9-7-13-21(26)24(18)32(30,31)17-20-12-8-14-22(27-20)25(29)28-16-6-5-15-23(28)19-10-3-2-4-11-19;1-16-11-12-22-18(14-16)7-5-13-27(22)24(28)21-10-4-8-19(26-21)15-31(29,30)23-17(2)6-3-9-20(23)25;1-4-17-12-11-16(3)25(13-17)22(26)20-10-6-8-18(24-20)14-29(27,28)21-15(2)7-5-9-19(21)23;1-3-6-17-11-13-25(14-12-17)22(26)20-10-5-8-18(24-20)15-29(27,28)21-16(2)7-4-9-19(21)23;1-14-7-4-11-18(22)20(14)28(26,27)13-17-10-6-12-19(23-17)21(25)24-15(2)8-5-9-16(24)3/h3-12,21H,13-17H2,1-2H3;2-4,7-14,23H,5-6,15-17H2,1H3;3-4,6,8-12,14H,5,7,13,15H2,1-2H3;5-10,16-17H,4,11-14H2,1-3H3;4-5,7-10,17H,3,6,11-15H2,1-2H3;4,6-7,10-12,15-16H,5,8-9,13H2,1-3H3/t;;;;;15-,16+.
What are the key properties of [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?
[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 has a molecular weight of 2697.96 g/mol, XLogP of 29.41, 29 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 123219068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).