1-(7-tert-butylsulfonylheptyl)-4-(2,3-dimethylcyclohexyl)benzene;1-(7-tert-butylsulfonylheptyl)-4-(3,5-dimethylcyclohexyl)benzene;1-(7-tert-butylsulfonylheptyl)-4-fluorobenzene;4-(7-tert-butylsulfonylheptyl)-1-fluoro-2-(trifluoromethoxy)benzene;4-(7-tert-butylsulfonylheptyl)-2-methoxy-1-(trifluoromethyl)benzene;4-[4-(7-tert-butylsulfonylheptyl)phenoxy]-2,6-dimethyloxane;5-(7-tert-butylsulfonylheptyl)-2-[4-(trifluoromethyl)phenyl]isoindole-1,3-dione;1-(7-tert-butylsulfonyl-3,4,5-trimethylheptyl)-4-(trifluoromethyl)benzene

C175H269F14NO22S8 — CID 159097243

IUPAC1-(7-tert-butylsulfonylheptyl)-4-(2,3-dimethylcyclohexyl)benzene;1-(7-tert-butylsulfonylheptyl)-4-(3,5-dimethylcyclohexyl)benzene;1-(7-tert-butylsulfonylheptyl)-4-fluorobenzene;4-(7-tert-butylsulfonylheptyl)-1-fluoro-2-(trifluoromethoxy)benzene;4-(7-tert-butylsulfonylheptyl)-2-methoxy-1-(trifluoromethyl)benzene;4-[4-(7-tert-butylsulfonylheptyl)phenoxy]-2,6-dimethyloxane;5-(7-tert-butylsulfonylheptyl)-2-[4-(trifluoromethyl)phenyl]isoindole-1,3-dione;1-(7-tert-butylsulfonyl-3,4,5-trimethylheptyl)-4-(trifluoromethyl)benzene
SMILESCC(C)(C)S(=O)(=O)CCCCCCCc1ccc(F)c(OC(F)(F)F)c1.CC(C)(C)S(=O)(=O)CCCCCCCc1ccc(F)cc1.CC(C)(C)S(=O)(=O)CCCCCCCc1ccc2c(c1)C(=O)N(c1ccc(C(F)(F)F)cc1)C2=O.CC(CCc1ccc(C(F)(F)F)cc1)C(C)C(C)CCS(=O)(=O)C(C)(C)C.CC1CC(C)CC(c2ccc(CCCCCCCS(=O)(=O)C(C)(C)C)cc2)C1.CC1CC(Oc2ccc(CCCCCCCS(=O)(=O)C(C)(C)C)cc2)CC(C)O1.CC1CCCC(c2ccc(CCCCCCCS(=O)(=O)C(C)(C)C)cc2)C1C.COc1cc(CCCCCCCS(=O)(=O)C(C)(C)C)ccc1C(F)(F)F
InChIInChI=1S/C26H30F3NO4S.2C25H42O2S.C24H40O4S.C21H33F3O2S.C19H29F3O3S.C18H26F4O3S.C17H27FO2S/c1-25(2,3)35(33,34)16-8-6-4-5-7-9-18-10-15-21-22(17-18)24(32)30(23(21)31)20-13-11-19(12-14-20)26(27,28)29;1-20-12-11-14-24(21(20)2)23-17-15-22(16-18-23)13-9-7-6-8-10-19-28(26,27)25(3,4)5;1-20-17-21(2)19-24(18-20)23-14-12-22(13-15-23)11-9-7-6-8-10-16-28(26,27)25(3,4)5;1-19-17-23(18-20(2)27-19)28-22-14-12-21(13-15-22)11-9-7-6-8-10-16-29(25,26)24(3,4)5;1-15(7-8-18-9-11-19(12-10-18)21(22,23)24)17(3)16(2)13-14-27(25,26)20(4,5)6;1-18(2,3)26(23,24)13-9-7-5-6-8-10-15-11-12-16(19(20,21)22)17(14-15)25-4;1-17(2,3)26(23,24)12-8-6-4-5-7-9-14-10-11-15(19)16(13-14)25-18(20,21)22;1-17(2,3)21(19,20)14-8-6-4-5-7-9-15-10-12-16(18)13-11-15/h10-15,17H,4-9,16H2,1-3H3;15-18,20-21,24H,6-14,19H2,1-5H3;12-15,20-21,24H,6-11,16-19H2,1-5H3;12-15,19-20,23H,6-11,16-18H2,1-5H3;9-12,15-17H,7-8,13-14H2,1-6H3;11-12,14H,5-10,13H2,1-4H3;10-11,13H,4-9,12H2,1-3H3;10-13H,4-9,14H2,1-3H3
InChIKeyKCUZKTRZTIKXPL-UHFFFAOYSA-N
MW3261.57 g/mol
LogP47.34
Rot. Bonds71

About 1-(7-tert-butylsulfonylheptyl)-4-(2,3-dimethylcyclohexyl)benzene;1-(7-tert-butylsulfonylheptyl)-4-(3,5-dimethylcyclohexyl)benzene;1-(7-tert-butylsulfonylheptyl)-4-fluorobenzene;4-(7-tert-butylsulfonylheptyl)-1-fluoro-2-(trifluoromethoxy)benzene;4-(7-tert-butylsulfonylheptyl)-2-methoxy-1-(trifluoromethyl)benzene;4-[4-(7-tert-butylsulfonylheptyl)phenoxy]-2,6-dimethyloxane;5-(7-tert-butylsulfonylheptyl)-2-[4-(trifluoromethyl)phenyl]isoindole-1,3-dione;1-(7-tert-butylsulfonyl-3,4,5-trimethylheptyl)-4-(trifluoromethyl)benzene

1-(7-tert-butylsulfonylheptyl)-4-(2,3-dimethylcyclohexyl)benzene;1-(7-tert-butylsulfonylheptyl)-4-(3,5-dimethylcyclohexyl)benzene;1-(7-tert-butylsulfonylheptyl)-4-fluorobenzene;4-(7-tert-butylsulfonylheptyl)-1-fluoro-2-(trifluoromethoxy)benzene;4-(7-tert-butylsulfonylheptyl)-2-methoxy-1-(trifluoromethyl)benzene;4-[4-(7-tert-butylsulfonylheptyl)phenoxy]-2,6-dimethyloxane;5-(7-tert-butylsulfonylheptyl)-2-[4-(trifluoromethyl)phenyl]isoindole-1,3-dione;1-(7-tert-butylsulfonyl-3,4,5-trimethylheptyl)-4-(trifluoromethyl)benzene (PubChem CID 159097243) has the molecular formula C175H269F14NO22S8 and a molecular weight of 3261.57 g/mol. Its IUPAC name is 1-(7-tert-butylsulfonylheptyl)-4-(2,3-dimethylcyclohexyl)benzene;1-(7-tert-butylsulfonylheptyl)-4-(3,5-dimethylcyclohexyl)benzene;1-(7-tert-butylsulfonylheptyl)-4-fluorobenzene;4-(7-tert-butylsulfonylheptyl)-1-fluoro-2-(trifluoromethoxy)benzene;4-(7-tert-butylsulfonylheptyl)-2-methoxy-1-(trifluoromethyl)benzene;4-[4-(7-tert-butylsulfonylheptyl)phenoxy]-2,6-dimethyloxane;5-(7-tert-butylsulfonylheptyl)-2-[4-(trifluoromethyl)phenyl]isoindole-1,3-dione;1-(7-tert-butylsulfonyl-3,4,5-trimethylheptyl)-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-(7-tert-butylsulfonylheptyl)-4-(2,3-dimethylcyclohexyl)benzene;1-(7-tert-butylsulfonylheptyl)-4-(3,5-dimethylcyclohexyl)benzene;1-(7-tert-butylsulfonylheptyl)-4-fluorobenzene;4-(7-tert-butylsulfonylheptyl)-1-fluoro-2-(trifluoromethoxy)benzene;4-(7-tert-butylsulfonylheptyl)-2-methoxy-1-(trifluoromethyl)benzene;4-[4-(7-tert-butylsulfonylheptyl)phenoxy]-2,6-dimethyloxane;5-(7-tert-butylsulfonylheptyl)-2-[4-(trifluoromethyl)phenyl]isoindole-1,3-dione;1-(7-tert-butylsulfonyl-3,4,5-trimethylheptyl)-4-(trifluoromethyl)benzene
PubChem CID159097243
Molecular FormulaC175H269F14NO22S8
Molecular Weight3261.57 g/mol
Exact Mass3258.75
IUPAC Name1-(7-tert-butylsulfonylheptyl)-4-(2,3-dimethylcyclohexyl)benzene;1-(7-tert-butylsulfonylheptyl)-4-(3,5-dimethylcyclohexyl)benzene;1-(7-tert-butylsulfonylheptyl)-4-fluorobenzene;4-(7-tert-butylsulfonylheptyl)-1-fluoro-2-(trifluoromethoxy)benzene;4-(7-tert-butylsulfonylheptyl)-2-methoxy-1-(trifluoromethyl)benzene;4-[4-(7-tert-butylsulfonylheptyl)phenoxy]-2,6-dimethyloxane;5-(7-tert-butylsulfonylheptyl)-2-[4-(trifluoromethyl)phenyl]isoindole-1,3-dione;1-(7-tert-butylsulfonyl-3,4,5-trimethylheptyl)-4-(trifluoromethyl)benzene
SMILESCC(C)(C)S(=O)(=O)CCCCCCCc1ccc(F)c(OC(F)(F)F)c1.CC(C)(C)S(=O)(=O)CCCCCCCc1ccc(F)cc1.CC(C)(C)S(=O)(=O)CCCCCCCc1ccc2c(c1)C(=O)N(c1ccc(C(F)(F)F)cc1)C2=O.CC(CCc1ccc(C(F)(F)F)cc1)C(C)C(C)CCS(=O)(=O)C(C)(C)C.CC1CC(C)CC(c2ccc(CCCCCCCS(=O)(=O)C(C)(C)C)cc2)C1.CC1CC(Oc2ccc(CCCCCCCS(=O)(=O)C(C)(C)C)cc2)CC(C)O1.CC1CCCC(c2ccc(CCCCCCCS(=O)(=O)C(C)(C)C)cc2)C1C.COc1cc(CCCCCCCS(=O)(=O)C(C)(C)C)ccc1C(F)(F)F
InChIInChI=1S/C26H30F3NO4S.2C25H42O2S.C24H40O4S.C21H33F3O2S.C19H29F3O3S.C18H26F4O3S.C17H27FO2S/c1-25(2,3)35(33,34)16-8-6-4-5-7-9-18-10-15-21-22(17-18)24(32)30(23(21)31)20-13-11-19(12-14-20)26(27,28)29;1-20-12-11-14-24(21(20)2)23-17-15-22(16-18-23)13-9-7-6-8-10-19-28(26,27)25(3,4)5;1-20-17-21(2)19-24(18-20)23-14-12-22(13-15-23)11-9-7-6-8-10-16-28(26,27)25(3,4)5;1-19-17-23(18-20(2)27-19)28-22-14-12-21(13-15-22)11-9-7-6-8-10-16-29(25,26)24(3,4)5;1-15(7-8-18-9-11-19(12-10-18)21(22,23)24)17(3)16(2)13-14-27(25,26)20(4,5)6;1-18(2,3)26(23,24)13-9-7-5-6-8-10-15-11-12-16(19(20,21)22)17(14-15)25-4;1-17(2,3)26(23,24)12-8-6-4-5-7-9-14-10-11-15(19)16(13-14)25-18(20,21)22;1-17(2,3)21(19,20)14-8-6-4-5-7-9-15-10-12-16(18)13-11-15/h10-15,17H,4-9,16H2,1-3H3;15-18,20-21,24H,6-14,19H2,1-5H3;12-15,20-21,24H,6-11,16-19H2,1-5H3;12-15,19-20,23H,6-11,16-18H2,1-5H3;9-12,15-17H,7-8,13-14H2,1-6H3;11-12,14H,5-10,13H2,1-4H3;10-11,13H,4-9,12H2,1-3H3;10-13H,4-9,14H2,1-3H3
InChIKeyKCUZKTRZTIKXPL-UHFFFAOYSA-N
XLogP47.34
TPSA347.42 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds71
Heavy Atoms220
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003261.57
LogP ≤ 547.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

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

Analyze 1-(7-tert-butylsulfonylheptyl)-4-(2,3-dimethylcyclohexyl)benzene;1-(7-tert-butylsulfonylheptyl)-4-(3,5-dimethylcyclohexyl)benzene;1-(7-tert-butylsulfonylheptyl)-4-fluorobenzene;4-(7-tert-butylsulfonylheptyl)-1-fluoro-2-(trifluoromethoxy)benzene;4-(7-tert-butylsulfonylheptyl)-2-methoxy-1-(trifluoromethyl)benzene;4-[4-(7-tert-butylsulfonylheptyl)phenoxy]-2,6-dimethyloxane;5-(7-tert-butylsulfonylheptyl)-2-[4-(trifluoromethyl)phenyl]isoindole-1,3-dione;1-(7-tert-butylsulfonyl-3,4,5-trimethylheptyl)-4-(trifluoromethyl)benzene with MolForge

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Related Compounds

3-[5-[1,1,1,3,3,3-Hexafluoro-2-[4-(5-methyl-1,3-dioxoisoindol-2-yl)-3-[3-(trioxidanylsulfanyl)propoxy]phenyl]propan-2-yl]-2-methylphenoxy]propane-1-sulfonic acid
CID 88976295
1-[4-(Tert-butylsulfonylmethyl)piperidin-1-yl]-2-[4-(2,3-dimethylcyclohexyl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-[4-(2,6-dimethyloxan-4-yl)oxyphenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-[4-fluoro-3-(trifluoromethoxy)phenyl]ethanone;5-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]-2-[4-(trifluoromethyl)phenyl]isoindole-1,3-dione;2-(3-morpholin-4-ylphenyl)-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;4-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethyl]benzonitrile
CID 158135202
2,6-dimethyl-4-[4-[2-(4-methylphenyl)ethyl]phenoxy]oxane;(2R,6S)-2,6-dimethyl-4-[3-[2-(4-methylphenyl)ethyl]phenyl]morpholine;1-methyl-4-[2-(4-methylphenyl)ethyl]benzene;1-methyl-4-(2-phenylethyl)benzene;4-[3-[2-(4-methylphenyl)ethyl]phenyl]morpholine;5-[2-(4-methylphenyl)ethyl]-2-[4-(trifluoromethyl)phenyl]isoindole-1,3-dione;bis(2-methylpropane-2-sulfinate);tetrakis(propane-2-sulfinate);4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]benzonitrile
CID 158180718
1-(2,3-Dimethylcyclohexyl)-4-[2-(4-methylphenyl)ethyl]benzene;2,6-dimethyl-4-[4-[2-(4-methylphenyl)ethyl]phenoxy]oxane;5-[2-(4-methylphenyl)ethyl]-2-[4-(trifluoromethyl)phenyl]isoindole-1,3-dione;tris(propane-2-sulfinate)
CID 158500118
1-(2,3-Dimethylcyclohexyl)-4-(7-propan-2-ylsulfonylheptyl)benzene;2,6-dimethyl-4-[4-(7-propan-2-ylsulfonylheptyl)phenoxy]oxane;1-fluoro-4-(7-propan-2-ylsulfonylheptyl)-2-(trifluoromethoxy)benzene;2-methoxy-4-(7-propan-2-ylsulfonylheptyl)-1-(trifluoromethyl)benzene;5-(7-propan-2-ylsulfonylheptyl)-2-[4-(trifluoromethyl)phenyl]isoindole-1,3-dione
CID 158510832
1-[4-(Tert-butylsulfonylmethyl)piperidin-1-yl]-2-(4-cyclohexylphenyl)ethanone;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-[4-(oxan-4-yloxy)phenyl]ethanone;2-(4-cyclohexylphenyl)-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;2-(4-fluorophenyl)-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;5-(2-oxo-7-propan-2-ylsulfonylheptyl)-2-phenylisoindole-1,3-dione;1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone
CID 159644630
1-[4-(Tert-butylsulfonylmethyl)phenyl]-2-(3-morpholin-4-ylphenyl)ethanone;4-[2-[4-(tert-butylsulfonylmethyl)phenyl]-2-oxoethyl]benzonitrile;2-[4-(2,3-dimethylcyclohexyl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;2-[4-(2,6-dimethyloxan-4-yl)oxyphenyl]-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;2-[4-fluoro-3-(trifluoromethoxy)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethanone;5-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethyl]-2-[4-(trifluoromethyl)phenyl]isoindole-1,3-dione
CID 159838230
7-tert-butylsulfonyl-1-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]heptan-2-one;7-tert-butylsulfonyl-1-(3-morpholin-4-ylphenyl)heptan-2-one;4-(7-tert-butylsulfonyl-2-oxoheptyl)benzonitrile;7-tert-butylsulfonyl-1-phenylheptan-2-one;2-[4-(2,3-dimethylcyclohexyl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;2-[4-(2,6-dimethyloxan-4-yl)oxyphenyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;5-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-2-[4-(trifluoromethyl)phenyl]isoindole-1,3-dione
CID 159891781
1-[4-(2,3-Dimethylcyclohexyl)phenyl]-7-propan-2-ylsulfonylheptan-2-one;1-[4-(3,5-dimethylcyclohexyl)phenyl]-7-propan-2-ylsulfonylheptan-2-one;1-[4-(2,6-dimethyloxan-4-yl)oxyphenyl]-7-propan-2-ylsulfonylheptan-2-one;1-(4-fluorophenyl)-7-propan-2-ylsulfonylheptan-2-one;1-[4-fluoro-3-(trifluoromethoxy)phenyl]-7-propan-2-ylsulfonylheptan-2-one;1-[3-methoxy-4-(trifluoromethyl)phenyl]-7-propan-2-ylsulfonylheptan-2-one;5-(2-oxo-7-propan-2-ylsulfonylheptyl)-2-[4-(trifluoromethyl)phenyl]isoindole-1,3-dione;3,4,5-trimethyl-7-propan-2-ylsulfonyl-1-[4-(trifluoromethyl)phenyl]heptan-2-one
CID 159931654
1-[4-(Tert-butylsulfonylmethyl)phenyl]-2-[4-(2,3-dimethylcyclohexyl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-[4-(2,6-dimethyloxan-4-yl)oxyphenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-[4-fluoro-3-(trifluoromethoxy)phenyl]ethanone;5-[2-[4-(tert-butylsulfonylmethyl)phenyl]-2-oxoethyl]-2-[4-(trifluoromethyl)phenyl]isoindole-1,3-dione;2-(3-morpholin-4-ylphenyl)-1-[4-(propan-2-ylsulfonylmethyl)phenyl]ethanone;4-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]benzonitrile
CID 160258666
7-tert-butylsulfonyl-1-[4-(2,6-dimethyloxan-4-yl)oxyphenyl]heptan-2-one;5-(7-tert-butylsulfonyl-2-oxoheptyl)-2-[4-(trifluoromethyl)phenyl]isoindole-1,3-dione;1-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-7-propan-2-ylsulfonylheptan-2-one;1-(4-ethylphenyl)-7-propan-2-ylsulfonylheptan-2-one;1-(4-methylphenyl)-7-propan-2-ylsulfonylheptan-2-one;1-(3-morpholin-4-ylphenyl)-7-propan-2-ylsulfonylheptan-2-one;4-(2-oxo-7-propan-2-ylsulfonylheptyl)benzonitrile;1-phenyl-7-propan-2-ylsulfonylheptan-2-one
CID 160781069
4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]benzonitrile;2,6-dimethyl-4-[4-[2-(4-methylphenyl)ethyl]phenoxy]oxane;(2S,6R)-2,6-dimethyl-4-[3-[2-(4-methylphenyl)ethyl]phenyl]morpholine;1-methyl-4-[2-(4-methylphenyl)ethyl]benzene;1-methyl-4-(2-phenylethyl)benzene;4-[3-[2-(4-methylphenyl)ethyl]phenyl]morpholine;5-[2-(4-methylphenyl)ethyl]-2-[4-(trifluoromethyl)phenyl]isoindole-1,3-dione;hexakis(2-methylpropane-2-sulfinate)
CID 160795327

Frequently Asked Questions

What is the IUPAC name of 1-(7-tert-butylsulfonylheptyl)-4-(2,3-dimethylcyclohexyl)benzene;1-(7-tert-butylsulfonylheptyl)-4-(3,5-dimethylcyclohexyl)benzene;1-(7-tert-butylsulfonylheptyl)-4-fluorobenzene;4-(7-tert-butylsulfonylheptyl)-1-fluoro-2-(trifluoromethoxy)benzene;4-(7-tert-butylsulfonylheptyl)-2-methoxy-1-(trifluoromethyl)benzene;4-[4-(7-tert-butylsulfonylheptyl)phenoxy]-2,6-dimethyloxane;5-(7-tert-butylsulfonylheptyl)-2-[4-(trifluoromethyl)phenyl]isoindole-1,3-dione;1-(7-tert-butylsulfonyl-3,4,5-trimethylheptyl)-4-(trifluoromethyl)benzene?
The IUPAC name of 1-(7-tert-butylsulfonylheptyl)-4-(2,3-dimethylcyclohexyl)benzene;1-(7-tert-butylsulfonylheptyl)-4-(3,5-dimethylcyclohexyl)benzene;1-(7-tert-butylsulfonylheptyl)-4-fluorobenzene;4-(7-tert-butylsulfonylheptyl)-1-fluoro-2-(trifluoromethoxy)benzene;4-(7-tert-butylsulfonylheptyl)-2-methoxy-1-(trifluoromethyl)benzene;4-[4-(7-tert-butylsulfonylheptyl)phenoxy]-2,6-dimethyloxane;5-(7-tert-butylsulfonylheptyl)-2-[4-(trifluoromethyl)phenyl]isoindole-1,3-dione;1-(7-tert-butylsulfonyl-3,4,5-trimethylheptyl)-4-(trifluoromethyl)benzene (CID 159097243) is 1-(7-tert-butylsulfonylheptyl)-4-(2,3-dimethylcyclohexyl)benzene;1-(7-tert-butylsulfonylheptyl)-4-(3,5-dimethylcyclohexyl)benzene;1-(7-tert-butylsulfonylheptyl)-4-fluorobenzene;4-(7-tert-butylsulfonylheptyl)-1-fluoro-2-(trifluoromethoxy)benzene;4-(7-tert-butylsulfonylheptyl)-2-methoxy-1-(trifluoromethyl)benzene;4-[4-(7-tert-butylsulfonylheptyl)phenoxy]-2,6-dimethyloxane;5-(7-tert-butylsulfonylheptyl)-2-[4-(trifluoromethyl)phenyl]isoindole-1,3-dione;1-(7-tert-butylsulfonyl-3,4,5-trimethylheptyl)-4-(trifluoromethyl)benzene.
What is the SMILES notation for 1-(7-tert-butylsulfonylheptyl)-4-(2,3-dimethylcyclohexyl)benzene;1-(7-tert-butylsulfonylheptyl)-4-(3,5-dimethylcyclohexyl)benzene;1-(7-tert-butylsulfonylheptyl)-4-fluorobenzene;4-(7-tert-butylsulfonylheptyl)-1-fluoro-2-(trifluoromethoxy)benzene;4-(7-tert-butylsulfonylheptyl)-2-methoxy-1-(trifluoromethyl)benzene;4-[4-(7-tert-butylsulfonylheptyl)phenoxy]-2,6-dimethyloxane;5-(7-tert-butylsulfonylheptyl)-2-[4-(trifluoromethyl)phenyl]isoindole-1,3-dione;1-(7-tert-butylsulfonyl-3,4,5-trimethylheptyl)-4-(trifluoromethyl)benzene?
The canonical SMILES for 1-(7-tert-butylsulfonylheptyl)-4-(2,3-dimethylcyclohexyl)benzene;1-(7-tert-butylsulfonylheptyl)-4-(3,5-dimethylcyclohexyl)benzene;1-(7-tert-butylsulfonylheptyl)-4-fluorobenzene;4-(7-tert-butylsulfonylheptyl)-1-fluoro-2-(trifluoromethoxy)benzene;4-(7-tert-butylsulfonylheptyl)-2-methoxy-1-(trifluoromethyl)benzene;4-[4-(7-tert-butylsulfonylheptyl)phenoxy]-2,6-dimethyloxane;5-(7-tert-butylsulfonylheptyl)-2-[4-(trifluoromethyl)phenyl]isoindole-1,3-dione;1-(7-tert-butylsulfonyl-3,4,5-trimethylheptyl)-4-(trifluoromethyl)benzene is CC(C)(C)S(=O)(=O)CCCCCCCc1ccc(F)c(OC(F)(F)F)c1.CC(C)(C)S(=O)(=O)CCCCCCCc1ccc(F)cc1.CC(C)(C)S(=O)(=O)CCCCCCCc1ccc2c(c1)C(=O)N(c1ccc(C(F)(F)F)cc1)C2=O.CC(CCc1ccc(C(F)(F)F)cc1)C(C)C(C)CCS(=O)(=O)C(C)(C)C.CC1CC(C)CC(c2ccc(CCCCCCCS(=O)(=O)C(C)(C)C)cc2)C1.CC1CC(Oc2ccc(CCCCCCCS(=O)(=O)C(C)(C)C)cc2)CC(C)O1.CC1CCCC(c2ccc(CCCCCCCS(=O)(=O)C(C)(C)C)cc2)C1C.COc1cc(CCCCCCCS(=O)(=O)C(C)(C)C)ccc1C(F)(F)F.
What is the InChIKey of 1-(7-tert-butylsulfonylheptyl)-4-(2,3-dimethylcyclohexyl)benzene;1-(7-tert-butylsulfonylheptyl)-4-(3,5-dimethylcyclohexyl)benzene;1-(7-tert-butylsulfonylheptyl)-4-fluorobenzene;4-(7-tert-butylsulfonylheptyl)-1-fluoro-2-(trifluoromethoxy)benzene;4-(7-tert-butylsulfonylheptyl)-2-methoxy-1-(trifluoromethyl)benzene;4-[4-(7-tert-butylsulfonylheptyl)phenoxy]-2,6-dimethyloxane;5-(7-tert-butylsulfonylheptyl)-2-[4-(trifluoromethyl)phenyl]isoindole-1,3-dione;1-(7-tert-butylsulfonyl-3,4,5-trimethylheptyl)-4-(trifluoromethyl)benzene?
The InChIKey is KCUZKTRZTIKXPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30F3NO4S.2C25H42O2S.C24H40O4S.C21H33F3O2S.C19H29F3O3S.C18H26F4O3S.C17H27FO2S/c1-25(2,3)35(33,34)16-8-6-4-5-7-9-18-10-15-21-22(17-18)24(32)30(23(21)31)20-13-11-19(12-14-20)26(27,28)29;1-20-12-11-14-24(21(20)2)23-17-15-22(16-18-23)13-9-7-6-8-10-19-28(26,27)25(3,4)5;1-20-17-21(2)19-24(18-20)23-14-12-22(13-15-23)11-9-7-6-8-10-16-28(26,27)25(3,4)5;1-19-17-23(18-20(2)27-19)28-22-14-12-21(13-15-22)11-9-7-6-8-10-16-29(25,26)24(3,4)5;1-15(7-8-18-9-11-19(12-10-18)21(22,23)24)17(3)16(2)13-14-27(25,26)20(4,5)6;1-18(2,3)26(23,24)13-9-7-5-6-8-10-15-11-12-16(19(20,21)22)17(14-15)25-4;1-17(2,3)26(23,24)12-8-6-4-5-7-9-14-10-11-15(19)16(13-14)25-18(20,21)22;1-17(2,3)21(19,20)14-8-6-4-5-7-9-15-10-12-16(18)13-11-15/h10-15,17H,4-9,16H2,1-3H3;15-18,20-21,24H,6-14,19H2,1-5H3;12-15,20-21,24H,6-11,16-19H2,1-5H3;12-15,19-20,23H,6-11,16-18H2,1-5H3;9-12,15-17H,7-8,13-14H2,1-6H3;11-12,14H,5-10,13H2,1-4H3;10-11,13H,4-9,12H2,1-3H3;10-13H,4-9,14H2,1-3H3.
What are the key properties of 1-(7-tert-butylsulfonylheptyl)-4-(2,3-dimethylcyclohexyl)benzene;1-(7-tert-butylsulfonylheptyl)-4-(3,5-dimethylcyclohexyl)benzene;1-(7-tert-butylsulfonylheptyl)-4-fluorobenzene;4-(7-tert-butylsulfonylheptyl)-1-fluoro-2-(trifluoromethoxy)benzene;4-(7-tert-butylsulfonylheptyl)-2-methoxy-1-(trifluoromethyl)benzene;4-[4-(7-tert-butylsulfonylheptyl)phenoxy]-2,6-dimethyloxane;5-(7-tert-butylsulfonylheptyl)-2-[4-(trifluoromethyl)phenyl]isoindole-1,3-dione;1-(7-tert-butylsulfonyl-3,4,5-trimethylheptyl)-4-(trifluoromethyl)benzene?
1-(7-tert-butylsulfonylheptyl)-4-(2,3-dimethylcyclohexyl)benzene;1-(7-tert-butylsulfonylheptyl)-4-(3,5-dimethylcyclohexyl)benzene;1-(7-tert-butylsulfonylheptyl)-4-fluorobenzene;4-(7-tert-butylsulfonylheptyl)-1-fluoro-2-(trifluoromethoxy)benzene;4-(7-tert-butylsulfonylheptyl)-2-methoxy-1-(trifluoromethyl)benzene;4-[4-(7-tert-butylsulfonylheptyl)phenoxy]-2,6-dimethyloxane;5-(7-tert-butylsulfonylheptyl)-2-[4-(trifluoromethyl)phenyl]isoindole-1,3-dione;1-(7-tert-butylsulfonyl-3,4,5-trimethylheptyl)-4-(trifluoromethyl)benzene has a molecular weight of 3261.57 g/mol, XLogP of 47.34, 71 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-tert-butylsulfonylheptyl)-4-(2,3-dimethylcyclohexyl)benzene;1-(7-tert-butylsulfonylheptyl)-4-(3,5-dimethylcyclohexyl)benzene;1-(7-tert-butylsulfonylheptyl)-4-fluorobenzene;4-(7-tert-butylsulfonylheptyl)-1-fluoro-2-(trifluoromethoxy)benzene;4-(7-tert-butylsulfonylheptyl)-2-methoxy-1-(trifluoromethyl)benzene;4-[4-(7-tert-butylsulfonylheptyl)phenoxy]-2,6-dimethyloxane;5-(7-tert-butylsulfonylheptyl)-2-[4-(trifluoromethyl)phenyl]isoindole-1,3-dione;1-(7-tert-butylsulfonyl-3,4,5-trimethylheptyl)-4-(trifluoromethyl)benzene is sourced from PubChem (CID 159097243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).