7-tert-butylsulfonyl-1-[4-(2,3-dimethylcyclohexyl)phenyl]heptan-2-one;7-tert-butylsulfonyl-1-[4-(3,5-dimethylcyclohexyl)phenyl]heptan-2-one;7-tert-butylsulfonyl-1-[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]heptan-2-one;7-tert-butylsulfonyl-1-[3-ethyl-4-(trifluoromethyl)phenyl]heptan-2-one;7-tert-butylsulfonyl-1-(4-fluorophenyl)heptan-2-one;7-tert-butylsulfonyl-1-[4-fluoro-3-(trifluoromethoxy)phenyl]heptan-2-one;7-tert-butylsulfonyl-1-[3-methoxy-4-(trifluoromethyl)phenyl]heptan-2-one;7-tert-butylsulfonyl-3,4,5-trimethyl-1-[4-(trifluoromethyl)phenyl]heptan-2-one

C164H244F17NO26S8 — CID 159292174

IUPAC7-tert-butylsulfonyl-1-[4-(2,3-dimethylcyclohexyl)phenyl]heptan-2-one;7-tert-butylsulfonyl-1-[4-(3,5-dimethylcyclohexyl)phenyl]heptan-2-one;7-tert-butylsulfonyl-1-[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]heptan-2-one;7-tert-butylsulfonyl-1-[3-ethyl-4-(trifluoromethyl)phenyl]heptan-2-one;7-tert-butylsulfonyl-1-(4-fluorophenyl)heptan-2-one;7-tert-butylsulfonyl-1-[4-fluoro-3-(trifluoromethoxy)phenyl]heptan-2-one;7-tert-butylsulfonyl-1-[3-methoxy-4-(trifluoromethyl)phenyl]heptan-2-one;7-tert-butylsulfonyl-3,4,5-trimethyl-1-[4-(trifluoromethyl)phenyl]heptan-2-one
SMILESCC(C)(C)S(=O)(=O)CCCCCC(=O)Cc1ccc(F)c(OC(F)(F)F)c1.CC(C)(C)S(=O)(=O)CCCCCC(=O)Cc1ccc(F)cc1.CC(CCS(=O)(=O)C(C)(C)C)C(C)C(C)C(=O)Cc1ccc(C(F)(F)F)cc1.CC1CC(C)CC(c2ccc(CC(=O)CCCCCS(=O)(=O)C(C)(C)C)cc2)C1.CC1CCCC(c2ccc(CC(=O)CCCCCS(=O)(=O)C(C)(C)C)cc2)C1C.CCc1cc(CC(=O)CCCCCS(=O)(=O)C(C)(C)C)ccc1C(F)(F)F.COc1cc(CC(=O)CCCCCS(=O)(=O)C(C)(C)C)ccc1C(F)(F)F.Cc1c(C(F)(F)F)cnc(CC(=O)CCCCCS(=O)(=O)C(C)(C)C)c1C
InChIInChI=1S/2C25H40O3S.C21H31F3O3S.C20H29F3O3S.C19H28F3NO3S.C19H27F3O4S.C18H24F4O4S.C17H25FO3S/c1-19-10-9-12-24(20(19)2)22-15-13-21(14-16-22)18-23(26)11-7-6-8-17-29(27,28)25(3,4)5;1-19-15-20(2)17-23(16-19)22-12-10-21(11-13-22)18-24(26)9-7-6-8-14-29(27,28)25(3,4)5;1-14(11-12-28(26,27)20(4,5)6)15(2)16(3)19(25)13-17-7-9-18(10-8-17)21(22,23)24;1-5-16-13-15(10-11-18(16)20(21,22)23)14-17(24)9-7-6-8-12-27(25,26)19(2,3)4;1-13-14(2)17(23-12-16(13)19(20,21)22)11-15(24)9-7-6-8-10-27(25,26)18(3,4)5;1-18(2,3)27(24,25)11-7-5-6-8-15(23)12-14-9-10-16(19(20,21)22)17(13-14)26-4;1-17(2,3)27(24,25)10-6-4-5-7-14(23)11-13-8-9-15(19)16(12-13)26-18(20,21)22;1-17(2,3)22(20,21)12-6-4-5-7-16(19)13-14-8-10-15(18)11-9-14/h13-16,19-20,24H,6-12,17-18H2,1-5H3;10-13,19-20,23H,6-9,14-18H2,1-5H3;7-10,14-16H,11-13H2,1-6H3;10-11,13H,5-9,12,14H2,1-4H3;12H,6-11H2,1-5H3;9-10,13H,5-8,11-12H2,1-4H3;8-9,12H,4-7,10-11H2,1-3H3;8-11H,4-7,12-13H2,1-3H3
InChIKeyLAGMXNAKMSZCEK-UHFFFAOYSA-N
MW3225.24 g/mol
LogP40.23
Rot. Bonds69

About 7-tert-butylsulfonyl-1-[4-(2,3-dimethylcyclohexyl)phenyl]heptan-2-one;7-tert-butylsulfonyl-1-[4-(3,5-dimethylcyclohexyl)phenyl]heptan-2-one;7-tert-butylsulfonyl-1-[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]heptan-2-one;7-tert-butylsulfonyl-1-[3-ethyl-4-(trifluoromethyl)phenyl]heptan-2-one;7-tert-butylsulfonyl-1-(4-fluorophenyl)heptan-2-one;7-tert-butylsulfonyl-1-[4-fluoro-3-(trifluoromethoxy)phenyl]heptan-2-one;7-tert-butylsulfonyl-1-[3-methoxy-4-(trifluoromethyl)phenyl]heptan-2-one;7-tert-butylsulfonyl-3,4,5-trimethyl-1-[4-(trifluoromethyl)phenyl]heptan-2-one

7-tert-butylsulfonyl-1-[4-(2,3-dimethylcyclohexyl)phenyl]heptan-2-one;7-tert-butylsulfonyl-1-[4-(3,5-dimethylcyclohexyl)phenyl]heptan-2-one;7-tert-butylsulfonyl-1-[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]heptan-2-one;7-tert-butylsulfonyl-1-[3-ethyl-4-(trifluoromethyl)phenyl]heptan-2-one;7-tert-butylsulfonyl-1-(4-fluorophenyl)heptan-2-one;7-tert-butylsulfonyl-1-[4-fluoro-3-(trifluoromethoxy)phenyl]heptan-2-one;7-tert-butylsulfonyl-1-[3-methoxy-4-(trifluoromethyl)phenyl]heptan-2-one;7-tert-butylsulfonyl-3,4,5-trimethyl-1-[4-(trifluoromethyl)phenyl]heptan-2-one (PubChem CID 159292174) has the molecular formula C164H244F17NO26S8 and a molecular weight of 3225.24 g/mol. Its IUPAC name is 7-tert-butylsulfonyl-1-[4-(2,3-dimethylcyclohexyl)phenyl]heptan-2-one;7-tert-butylsulfonyl-1-[4-(3,5-dimethylcyclohexyl)phenyl]heptan-2-one;7-tert-butylsulfonyl-1-[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]heptan-2-one;7-tert-butylsulfonyl-1-[3-ethyl-4-(trifluoromethyl)phenyl]heptan-2-one;7-tert-butylsulfonyl-1-(4-fluorophenyl)heptan-2-one;7-tert-butylsulfonyl-1-[4-fluoro-3-(trifluoromethoxy)phenyl]heptan-2-one;7-tert-butylsulfonyl-1-[3-methoxy-4-(trifluoromethyl)phenyl]heptan-2-one;7-tert-butylsulfonyl-3,4,5-trimethyl-1-[4-(trifluoromethyl)phenyl]heptan-2-one.

Molecular Properties

Compound Name7-tert-butylsulfonyl-1-[4-(2,3-dimethylcyclohexyl)phenyl]heptan-2-one;7-tert-butylsulfonyl-1-[4-(3,5-dimethylcyclohexyl)phenyl]heptan-2-one;7-tert-butylsulfonyl-1-[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]heptan-2-one;7-tert-butylsulfonyl-1-[3-ethyl-4-(trifluoromethyl)phenyl]heptan-2-one;7-tert-butylsulfonyl-1-(4-fluorophenyl)heptan-2-one;7-tert-butylsulfonyl-1-[4-fluoro-3-(trifluoromethoxy)phenyl]heptan-2-one;7-tert-butylsulfonyl-1-[3-methoxy-4-(trifluoromethyl)phenyl]heptan-2-one;7-tert-butylsulfonyl-3,4,5-trimethyl-1-[4-(trifluoromethyl)phenyl]heptan-2-one
PubChem CID159292174
Molecular FormulaC164H244F17NO26S8
Molecular Weight3225.24 g/mol
Exact Mass3222.53
IUPAC Name7-tert-butylsulfonyl-1-[4-(2,3-dimethylcyclohexyl)phenyl]heptan-2-one;7-tert-butylsulfonyl-1-[4-(3,5-dimethylcyclohexyl)phenyl]heptan-2-one;7-tert-butylsulfonyl-1-[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]heptan-2-one;7-tert-butylsulfonyl-1-[3-ethyl-4-(trifluoromethyl)phenyl]heptan-2-one;7-tert-butylsulfonyl-1-(4-fluorophenyl)heptan-2-one;7-tert-butylsulfonyl-1-[4-fluoro-3-(trifluoromethoxy)phenyl]heptan-2-one;7-tert-butylsulfonyl-1-[3-methoxy-4-(trifluoromethyl)phenyl]heptan-2-one;7-tert-butylsulfonyl-3,4,5-trimethyl-1-[4-(trifluoromethyl)phenyl]heptan-2-one
SMILESCC(C)(C)S(=O)(=O)CCCCCC(=O)Cc1ccc(F)c(OC(F)(F)F)c1.CC(C)(C)S(=O)(=O)CCCCCC(=O)Cc1ccc(F)cc1.CC(CCS(=O)(=O)C(C)(C)C)C(C)C(C)C(=O)Cc1ccc(C(F)(F)F)cc1.CC1CC(C)CC(c2ccc(CC(=O)CCCCCS(=O)(=O)C(C)(C)C)cc2)C1.CC1CCCC(c2ccc(CC(=O)CCCCCS(=O)(=O)C(C)(C)C)cc2)C1C.CCc1cc(CC(=O)CCCCCS(=O)(=O)C(C)(C)C)ccc1C(F)(F)F.COc1cc(CC(=O)CCCCCS(=O)(=O)C(C)(C)C)ccc1C(F)(F)F.Cc1c(C(F)(F)F)cnc(CC(=O)CCCCCS(=O)(=O)C(C)(C)C)c1C
InChIInChI=1S/2C25H40O3S.C21H31F3O3S.C20H29F3O3S.C19H28F3NO3S.C19H27F3O4S.C18H24F4O4S.C17H25FO3S/c1-19-10-9-12-24(20(19)2)22-15-13-21(14-16-22)18-23(26)11-7-6-8-17-29(27,28)25(3,4)5;1-19-15-20(2)17-23(16-19)22-12-10-21(11-13-22)18-24(26)9-7-6-8-14-29(27,28)25(3,4)5;1-14(11-12-28(26,27)20(4,5)6)15(2)16(3)19(25)13-17-7-9-18(10-8-17)21(22,23)24;1-5-16-13-15(10-11-18(16)20(21,22)23)14-17(24)9-7-6-8-12-27(25,26)19(2,3)4;1-13-14(2)17(23-12-16(13)19(20,21)22)11-15(24)9-7-6-8-10-27(25,26)18(3,4)5;1-18(2,3)27(24,25)11-7-5-6-8-15(23)12-14-9-10-16(19(20,21)22)17(13-14)26-4;1-17(2,3)27(24,25)10-6-4-5-7-14(23)11-13-8-9-15(19)16(12-13)26-18(20,21)22;1-17(2,3)22(20,21)12-6-4-5-7-16(19)13-14-8-10-15(18)11-9-14/h13-16,19-20,24H,6-12,17-18H2,1-5H3;10-13,19-20,23H,6-9,14-18H2,1-5H3;7-10,14-16H,11-13H2,1-6H3;10-11,13H,5-9,12,14H2,1-4H3;12H,6-11H2,1-5H3;9-10,13H,5-8,11-12H2,1-4H3;8-9,12H,4-7,10-11H2,1-3H3;8-11H,4-7,12-13H2,1-3H3
InChIKeyLAGMXNAKMSZCEK-UHFFFAOYSA-N
XLogP40.23
TPSA441.03 Ų
H-Bond Donors
H-Bond Acceptors27
Rotatable Bonds69
Heavy Atoms216
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003225.24
LogP ≤ 540.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 7-tert-butylsulfonyl-1-[4-(2,3-dimethylcyclohexyl)phenyl]heptan-2-one;7-tert-butylsulfonyl-1-[4-(3,5-dimethylcyclohexyl)phenyl]heptan-2-one;7-tert-butylsulfonyl-1-[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]heptan-2-one;7-tert-butylsulfonyl-1-[3-ethyl-4-(trifluoromethyl)phenyl]heptan-2-one;7-tert-butylsulfonyl-1-(4-fluorophenyl)heptan-2-one;7-tert-butylsulfonyl-1-[4-fluoro-3-(trifluoromethoxy)phenyl]heptan-2-one;7-tert-butylsulfonyl-1-[3-methoxy-4-(trifluoromethyl)phenyl]heptan-2-one;7-tert-butylsulfonyl-3,4,5-trimethyl-1-[4-(trifluoromethyl)phenyl]heptan-2-one with MolForge

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Related Compounds

1-(Tert-butylsulfonylmethyl)-2,5-dimethyl-4-[2-[4-(trifluoromethyl)phenyl]ethyl]benzene;2-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-3,4-dimethyl-5-(trifluoromethyl)pyridine;4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-1-fluoro-2-(trifluoromethoxy)benzene;1-(2,3-dimethylcyclohexyl)-4-[2-(4-methylphenyl)ethyl]benzene;1-(3,5-dimethylcyclohexyl)-4-[2-(4-methylphenyl)ethyl]benzene;2-ethoxy-4-[2-(4-methylphenyl)ethyl]-1-(trifluoromethyl)benzene;1-fluoro-4-[2-(4-methylphenyl)ethyl]benzene;tetrakis(2-methylpropane-2-sulfinate)
CID 157259791
2-[4-(3,5-Dimethylcyclohexyl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)phenyl]ethanone;1-[2,5-dimethyl-4-(propan-2-ylsulfonylmethyl)phenyl]-2-[4-(trifluoromethyl)phenyl]ethanone;2-[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]-1-[4-(propan-2-ylsulfonylmethyl)phenyl]ethanone;2-[3-ethoxy-4-(trifluoromethyl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)phenyl]ethanone;2-[3-ethyl-4-(trifluoromethyl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)phenyl]ethanone;2-(4-fluorophenyl)-1-[4-(propan-2-ylsulfonylmethyl)phenyl]ethanone
CID 157758094
1-[4-(Tert-butylsulfonylmethyl)-2,5-dimethylphenyl]-2-[4-(trifluoromethyl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-[4-(3,5-dimethylcyclohexyl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-[3-ethoxy-4-(trifluoromethyl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-[3-ethyl-4-(trifluoromethyl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-(4-fluorophenyl)ethanone
CID 158549695
2-[4-(3,5-Dimethylcyclohexyl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;1-[2,5-dimethyl-4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone;2-[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;2-[3-ethyl-4-(trifluoromethyl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;2-(4-fluoro-3-methylphenyl)-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;2-[3-methoxy-4-(trifluoromethyl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone
CID 159172816
1-(2,3-Dimethylcyclohexyl)-4-heptylbenzene;1-(3,5-dimethylcyclohexyl)-4-heptylbenzene;2,6-dimethyl-4-[4-(7-propan-2-ylsulfonylheptyl)phenoxy]oxane;1-fluoro-4-heptylbenzene;1-fluoro-4-(7-propan-2-ylsulfonylheptyl)-2-(trifluoromethoxy)benzene;2-heptyl-3,4-dimethyl-5-(trifluoromethyl)pyridine;4-heptyl-2-methoxy-1-(trifluoromethyl)benzene;hexakis(propane-2-sulfinate);1-(trifluoromethyl)-4-(3,4,5-trimethylheptyl)benzene
CID 159230243
1-[2-[4-(3,5-Dimethylcyclohexyl)phenyl]ethyl]-4-(propan-2-ylsulfonylmethyl)benzene;3,4-dimethyl-2-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]-5-(trifluoromethyl)pyridine;1,4-dimethyl-2-(propan-2-ylsulfonylmethyl)-5-[2-[4-(trifluoromethyl)phenyl]ethyl]benzene;2-ethoxy-4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]-1-(trifluoromethyl)benzene;1-[2-(4-fluorophenyl)ethyl]-4-(propan-2-ylsulfonylmethyl)benzene;1-fluoro-4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]-2-(trifluoromethoxy)benzene
CID 159752888
1-[4-(Tert-butylsulfonylmethyl)-2,5-dimethylpiperidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-[4-(3,5-dimethylcyclohexyl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]ethanone;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-[3-ethoxy-4-(trifluoromethyl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-[3-ethyl-4-(trifluoromethyl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-(4-fluoro-3-methylphenyl)ethanone
CID 160778448
2-[4-(3,5-Dimethylcyclohexyl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;2-[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;2-(4-fluorophenyl)-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;2-[4-fluoro-3-(trifluoromethoxy)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;2-[3-methoxy-4-(trifluoromethyl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]-2-[4-(trifluoromethyl)phenyl]ethanone
CID 161211407
1-(3,5-Dimethylcyclohexyl)-4-[2-(4-methylphenyl)ethyl]benzene;3,4-dimethyl-2-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]-5-(trifluoromethyl)pyridine;2-ethoxy-4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]-1-(trifluoromethyl)benzene;1-fluoro-4-[2-(4-methylphenyl)ethyl]benzene;1-fluoro-4-[2-(4-methylphenyl)ethyl]-2-(trifluoromethoxy)benzene;tetrakis(propane-2-sulfinate);1,2,4-trimethyl-5-[2-[4-(trifluoromethyl)phenyl]ethyl]benzene
CID 161537397
4-[4-(Aminomethyl)-3-methoxyphenyl]-1-[2-(3-methylphenyl)-6-(trifluoromethyl)-3-pyridinyl]pentan-3-one;4-[3-methoxy-4-(2-methylsulfonylethyl)phenyl]-1-[2-(3-methylphenyl)-6-(trifluoromethyl)-3-pyridinyl]pentan-3-one
CID 161771915
1-(3,5-dimethylcyclohexyl)-4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene;1-[2-[(1S,4R)-2,5-dimethyl-4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-4-(trifluoromethyl)benzene;3,4-dimethyl-2-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-5-(trifluoromethyl)pyridine;1-fluoro-4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene;1-fluoro-4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-2-(trifluoromethoxy)benzene;2-methoxy-4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1-(trifluoromethyl)benzene
CID 161823167
1-(Tert-butylsulfonylmethyl)-4-[2-[4-(2,3-dimethylcyclohexyl)phenyl]ethyl]benzene;1-(tert-butylsulfonylmethyl)-4-[2-[4-(3,5-dimethylcyclohexyl)phenyl]ethyl]benzene;1-(tert-butylsulfonylmethyl)-2,5-dimethyl-4-[2-[4-(trifluoromethyl)phenyl]ethyl]benzene;1-(tert-butylsulfonylmethyl)-4-[2-(4-fluorophenyl)ethyl]benzene;2-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-3,4-dimethyl-5-(trifluoromethyl)pyridine;4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-2-ethoxy-1-(trifluoromethyl)benzene;4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-1-fluoro-2-(trifluoromethoxy)benzene
CID 162214713

Frequently Asked Questions

What is the IUPAC name of 7-tert-butylsulfonyl-1-[4-(2,3-dimethylcyclohexyl)phenyl]heptan-2-one;7-tert-butylsulfonyl-1-[4-(3,5-dimethylcyclohexyl)phenyl]heptan-2-one;7-tert-butylsulfonyl-1-[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]heptan-2-one;7-tert-butylsulfonyl-1-[3-ethyl-4-(trifluoromethyl)phenyl]heptan-2-one;7-tert-butylsulfonyl-1-(4-fluorophenyl)heptan-2-one;7-tert-butylsulfonyl-1-[4-fluoro-3-(trifluoromethoxy)phenyl]heptan-2-one;7-tert-butylsulfonyl-1-[3-methoxy-4-(trifluoromethyl)phenyl]heptan-2-one;7-tert-butylsulfonyl-3,4,5-trimethyl-1-[4-(trifluoromethyl)phenyl]heptan-2-one?
The IUPAC name of 7-tert-butylsulfonyl-1-[4-(2,3-dimethylcyclohexyl)phenyl]heptan-2-one;7-tert-butylsulfonyl-1-[4-(3,5-dimethylcyclohexyl)phenyl]heptan-2-one;7-tert-butylsulfonyl-1-[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]heptan-2-one;7-tert-butylsulfonyl-1-[3-ethyl-4-(trifluoromethyl)phenyl]heptan-2-one;7-tert-butylsulfonyl-1-(4-fluorophenyl)heptan-2-one;7-tert-butylsulfonyl-1-[4-fluoro-3-(trifluoromethoxy)phenyl]heptan-2-one;7-tert-butylsulfonyl-1-[3-methoxy-4-(trifluoromethyl)phenyl]heptan-2-one;7-tert-butylsulfonyl-3,4,5-trimethyl-1-[4-(trifluoromethyl)phenyl]heptan-2-one (CID 159292174) is 7-tert-butylsulfonyl-1-[4-(2,3-dimethylcyclohexyl)phenyl]heptan-2-one;7-tert-butylsulfonyl-1-[4-(3,5-dimethylcyclohexyl)phenyl]heptan-2-one;7-tert-butylsulfonyl-1-[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]heptan-2-one;7-tert-butylsulfonyl-1-[3-ethyl-4-(trifluoromethyl)phenyl]heptan-2-one;7-tert-butylsulfonyl-1-(4-fluorophenyl)heptan-2-one;7-tert-butylsulfonyl-1-[4-fluoro-3-(trifluoromethoxy)phenyl]heptan-2-one;7-tert-butylsulfonyl-1-[3-methoxy-4-(trifluoromethyl)phenyl]heptan-2-one;7-tert-butylsulfonyl-3,4,5-trimethyl-1-[4-(trifluoromethyl)phenyl]heptan-2-one.
What is the SMILES notation for 7-tert-butylsulfonyl-1-[4-(2,3-dimethylcyclohexyl)phenyl]heptan-2-one;7-tert-butylsulfonyl-1-[4-(3,5-dimethylcyclohexyl)phenyl]heptan-2-one;7-tert-butylsulfonyl-1-[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]heptan-2-one;7-tert-butylsulfonyl-1-[3-ethyl-4-(trifluoromethyl)phenyl]heptan-2-one;7-tert-butylsulfonyl-1-(4-fluorophenyl)heptan-2-one;7-tert-butylsulfonyl-1-[4-fluoro-3-(trifluoromethoxy)phenyl]heptan-2-one;7-tert-butylsulfonyl-1-[3-methoxy-4-(trifluoromethyl)phenyl]heptan-2-one;7-tert-butylsulfonyl-3,4,5-trimethyl-1-[4-(trifluoromethyl)phenyl]heptan-2-one?
The canonical SMILES for 7-tert-butylsulfonyl-1-[4-(2,3-dimethylcyclohexyl)phenyl]heptan-2-one;7-tert-butylsulfonyl-1-[4-(3,5-dimethylcyclohexyl)phenyl]heptan-2-one;7-tert-butylsulfonyl-1-[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]heptan-2-one;7-tert-butylsulfonyl-1-[3-ethyl-4-(trifluoromethyl)phenyl]heptan-2-one;7-tert-butylsulfonyl-1-(4-fluorophenyl)heptan-2-one;7-tert-butylsulfonyl-1-[4-fluoro-3-(trifluoromethoxy)phenyl]heptan-2-one;7-tert-butylsulfonyl-1-[3-methoxy-4-(trifluoromethyl)phenyl]heptan-2-one;7-tert-butylsulfonyl-3,4,5-trimethyl-1-[4-(trifluoromethyl)phenyl]heptan-2-one is CC(C)(C)S(=O)(=O)CCCCCC(=O)Cc1ccc(F)c(OC(F)(F)F)c1.CC(C)(C)S(=O)(=O)CCCCCC(=O)Cc1ccc(F)cc1.CC(CCS(=O)(=O)C(C)(C)C)C(C)C(C)C(=O)Cc1ccc(C(F)(F)F)cc1.CC1CC(C)CC(c2ccc(CC(=O)CCCCCS(=O)(=O)C(C)(C)C)cc2)C1.CC1CCCC(c2ccc(CC(=O)CCCCCS(=O)(=O)C(C)(C)C)cc2)C1C.CCc1cc(CC(=O)CCCCCS(=O)(=O)C(C)(C)C)ccc1C(F)(F)F.COc1cc(CC(=O)CCCCCS(=O)(=O)C(C)(C)C)ccc1C(F)(F)F.Cc1c(C(F)(F)F)cnc(CC(=O)CCCCCS(=O)(=O)C(C)(C)C)c1C.
What is the InChIKey of 7-tert-butylsulfonyl-1-[4-(2,3-dimethylcyclohexyl)phenyl]heptan-2-one;7-tert-butylsulfonyl-1-[4-(3,5-dimethylcyclohexyl)phenyl]heptan-2-one;7-tert-butylsulfonyl-1-[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]heptan-2-one;7-tert-butylsulfonyl-1-[3-ethyl-4-(trifluoromethyl)phenyl]heptan-2-one;7-tert-butylsulfonyl-1-(4-fluorophenyl)heptan-2-one;7-tert-butylsulfonyl-1-[4-fluoro-3-(trifluoromethoxy)phenyl]heptan-2-one;7-tert-butylsulfonyl-1-[3-methoxy-4-(trifluoromethyl)phenyl]heptan-2-one;7-tert-butylsulfonyl-3,4,5-trimethyl-1-[4-(trifluoromethyl)phenyl]heptan-2-one?
The InChIKey is LAGMXNAKMSZCEK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C25H40O3S.C21H31F3O3S.C20H29F3O3S.C19H28F3NO3S.C19H27F3O4S.C18H24F4O4S.C17H25FO3S/c1-19-10-9-12-24(20(19)2)22-15-13-21(14-16-22)18-23(26)11-7-6-8-17-29(27,28)25(3,4)5;1-19-15-20(2)17-23(16-19)22-12-10-21(11-13-22)18-24(26)9-7-6-8-14-29(27,28)25(3,4)5;1-14(11-12-28(26,27)20(4,5)6)15(2)16(3)19(25)13-17-7-9-18(10-8-17)21(22,23)24;1-5-16-13-15(10-11-18(16)20(21,22)23)14-17(24)9-7-6-8-12-27(25,26)19(2,3)4;1-13-14(2)17(23-12-16(13)19(20,21)22)11-15(24)9-7-6-8-10-27(25,26)18(3,4)5;1-18(2,3)27(24,25)11-7-5-6-8-15(23)12-14-9-10-16(19(20,21)22)17(13-14)26-4;1-17(2,3)27(24,25)10-6-4-5-7-14(23)11-13-8-9-15(19)16(12-13)26-18(20,21)22;1-17(2,3)22(20,21)12-6-4-5-7-16(19)13-14-8-10-15(18)11-9-14/h13-16,19-20,24H,6-12,17-18H2,1-5H3;10-13,19-20,23H,6-9,14-18H2,1-5H3;7-10,14-16H,11-13H2,1-6H3;10-11,13H,5-9,12,14H2,1-4H3;12H,6-11H2,1-5H3;9-10,13H,5-8,11-12H2,1-4H3;8-9,12H,4-7,10-11H2,1-3H3;8-11H,4-7,12-13H2,1-3H3.
What are the key properties of 7-tert-butylsulfonyl-1-[4-(2,3-dimethylcyclohexyl)phenyl]heptan-2-one;7-tert-butylsulfonyl-1-[4-(3,5-dimethylcyclohexyl)phenyl]heptan-2-one;7-tert-butylsulfonyl-1-[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]heptan-2-one;7-tert-butylsulfonyl-1-[3-ethyl-4-(trifluoromethyl)phenyl]heptan-2-one;7-tert-butylsulfonyl-1-(4-fluorophenyl)heptan-2-one;7-tert-butylsulfonyl-1-[4-fluoro-3-(trifluoromethoxy)phenyl]heptan-2-one;7-tert-butylsulfonyl-1-[3-methoxy-4-(trifluoromethyl)phenyl]heptan-2-one;7-tert-butylsulfonyl-3,4,5-trimethyl-1-[4-(trifluoromethyl)phenyl]heptan-2-one?
7-tert-butylsulfonyl-1-[4-(2,3-dimethylcyclohexyl)phenyl]heptan-2-one;7-tert-butylsulfonyl-1-[4-(3,5-dimethylcyclohexyl)phenyl]heptan-2-one;7-tert-butylsulfonyl-1-[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]heptan-2-one;7-tert-butylsulfonyl-1-[3-ethyl-4-(trifluoromethyl)phenyl]heptan-2-one;7-tert-butylsulfonyl-1-(4-fluorophenyl)heptan-2-one;7-tert-butylsulfonyl-1-[4-fluoro-3-(trifluoromethoxy)phenyl]heptan-2-one;7-tert-butylsulfonyl-1-[3-methoxy-4-(trifluoromethyl)phenyl]heptan-2-one;7-tert-butylsulfonyl-3,4,5-trimethyl-1-[4-(trifluoromethyl)phenyl]heptan-2-one has a molecular weight of 3225.24 g/mol, XLogP of 40.23, 69 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butylsulfonyl-1-[4-(2,3-dimethylcyclohexyl)phenyl]heptan-2-one;7-tert-butylsulfonyl-1-[4-(3,5-dimethylcyclohexyl)phenyl]heptan-2-one;7-tert-butylsulfonyl-1-[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]heptan-2-one;7-tert-butylsulfonyl-1-[3-ethyl-4-(trifluoromethyl)phenyl]heptan-2-one;7-tert-butylsulfonyl-1-(4-fluorophenyl)heptan-2-one;7-tert-butylsulfonyl-1-[4-fluoro-3-(trifluoromethoxy)phenyl]heptan-2-one;7-tert-butylsulfonyl-1-[3-methoxy-4-(trifluoromethyl)phenyl]heptan-2-one;7-tert-butylsulfonyl-3,4,5-trimethyl-1-[4-(trifluoromethyl)phenyl]heptan-2-one is sourced from PubChem (CID 159292174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).