4-(7-tert-butylsulfonylheptyl)-1-cyclopentyloxy-2-ethylbenzene;1-(7-tert-butylsulfonylheptyl)-4-(2,3-dimethylcyclopentyl)oxybenzene;2-(7-tert-butylsulfonylheptyl)-3,4-dimethyl-5-(trifluoromethyl)pyridine;4-(7-tert-butylsulfonylheptyl)-2-ethyl-1-(trifluoromethyl)benzene;1-(7-tert-butylsulfonylheptyl)-4-fluorobenzene;2-[4-(7-tert-butylsulfonylheptyl)-3-methylphenyl]-4-methylthiophene;1-(7-tert-butylsulfonyl-3,4,5-trimethylheptyl)-4-(trifluoromethyl)benzene

C148H235F10NO16S8 — CID 159758710

IUPAC4-(7-tert-butylsulfonylheptyl)-1-cyclopentyloxy-2-ethylbenzene;1-(7-tert-butylsulfonylheptyl)-4-(2,3-dimethylcyclopentyl)oxybenzene;2-(7-tert-butylsulfonylheptyl)-3,4-dimethyl-5-(trifluoromethyl)pyridine;4-(7-tert-butylsulfonylheptyl)-2-ethyl-1-(trifluoromethyl)benzene;1-(7-tert-butylsulfonylheptyl)-4-fluorobenzene;2-[4-(7-tert-butylsulfonylheptyl)-3-methylphenyl]-4-methylthiophene;1-(7-tert-butylsulfonyl-3,4,5-trimethylheptyl)-4-(trifluoromethyl)benzene
SMILESCC(C)(C)S(=O)(=O)CCCCCCCc1ccc(F)cc1.CC(CCc1ccc(C(F)(F)F)cc1)C(C)C(C)CCS(=O)(=O)C(C)(C)C.CC1CCC(Oc2ccc(CCCCCCCS(=O)(=O)C(C)(C)C)cc2)C1C.CCc1cc(CCCCCCCS(=O)(=O)C(C)(C)C)ccc1C(F)(F)F.CCc1cc(CCCCCCCS(=O)(=O)C(C)(C)C)ccc1OC1CCCC1.Cc1c(C(F)(F)F)cnc(CCCCCCCS(=O)(=O)C(C)(C)C)c1C.Cc1csc(-c2ccc(CCCCCCCS(=O)(=O)C(C)(C)C)c(C)c2)c1
InChIInChI=1S/2C24H40O3S.C23H34O2S2.C21H33F3O2S.C20H31F3O2S.C19H30F3NO2S.C17H27FO2S/c1-19-12-17-23(20(19)2)27-22-15-13-21(14-16-22)11-9-7-6-8-10-18-28(25,26)24(3,4)5;1-5-21-19-20(16-17-23(21)27-22-14-10-11-15-22)13-9-7-6-8-12-18-28(25,26)24(2,3)4;1-18-15-22(26-17-18)21-13-12-20(19(2)16-21)11-9-7-6-8-10-14-27(24,25)23(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;1-5-17-15-16(12-13-18(17)20(21,22)23)11-9-7-6-8-10-14-26(24,25)19(2,3)4;1-14-15(2)17(23-13-16(14)19(20,21)22)11-9-7-6-8-10-12-26(24,25)18(3,4)5;1-17(2,3)21(19,20)14-8-6-4-5-7-9-15-10-12-16(18)13-11-15/h13-16,19-20,23H,6-12,17-18H2,1-5H3;16-17,19,22H,5-15,18H2,1-4H3;12-13,15-17H,6-11,14H2,1-5H3;9-12,15-17H,7-8,13-14H2,1-6H3;12-13,15H,5-11,14H2,1-4H3;13H,6-12H2,1-5H3;10-13H,4-9,14H2,1-3H3
InChIKeyNEPJCJDWNGQRKR-UHFFFAOYSA-N
MW2731.01 g/mol
LogP41.30
Rot. Bonds63

About 4-(7-tert-butylsulfonylheptyl)-1-cyclopentyloxy-2-ethylbenzene;1-(7-tert-butylsulfonylheptyl)-4-(2,3-dimethylcyclopentyl)oxybenzene;2-(7-tert-butylsulfonylheptyl)-3,4-dimethyl-5-(trifluoromethyl)pyridine;4-(7-tert-butylsulfonylheptyl)-2-ethyl-1-(trifluoromethyl)benzene;1-(7-tert-butylsulfonylheptyl)-4-fluorobenzene;2-[4-(7-tert-butylsulfonylheptyl)-3-methylphenyl]-4-methylthiophene;1-(7-tert-butylsulfonyl-3,4,5-trimethylheptyl)-4-(trifluoromethyl)benzene

4-(7-tert-butylsulfonylheptyl)-1-cyclopentyloxy-2-ethylbenzene;1-(7-tert-butylsulfonylheptyl)-4-(2,3-dimethylcyclopentyl)oxybenzene;2-(7-tert-butylsulfonylheptyl)-3,4-dimethyl-5-(trifluoromethyl)pyridine;4-(7-tert-butylsulfonylheptyl)-2-ethyl-1-(trifluoromethyl)benzene;1-(7-tert-butylsulfonylheptyl)-4-fluorobenzene;2-[4-(7-tert-butylsulfonylheptyl)-3-methylphenyl]-4-methylthiophene;1-(7-tert-butylsulfonyl-3,4,5-trimethylheptyl)-4-(trifluoromethyl)benzene (PubChem CID 159758710) has the molecular formula C148H235F10NO16S8 and a molecular weight of 2731.01 g/mol. Its IUPAC name is 4-(7-tert-butylsulfonylheptyl)-1-cyclopentyloxy-2-ethylbenzene;1-(7-tert-butylsulfonylheptyl)-4-(2,3-dimethylcyclopentyl)oxybenzene;2-(7-tert-butylsulfonylheptyl)-3,4-dimethyl-5-(trifluoromethyl)pyridine;4-(7-tert-butylsulfonylheptyl)-2-ethyl-1-(trifluoromethyl)benzene;1-(7-tert-butylsulfonylheptyl)-4-fluorobenzene;2-[4-(7-tert-butylsulfonylheptyl)-3-methylphenyl]-4-methylthiophene;1-(7-tert-butylsulfonyl-3,4,5-trimethylheptyl)-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name4-(7-tert-butylsulfonylheptyl)-1-cyclopentyloxy-2-ethylbenzene;1-(7-tert-butylsulfonylheptyl)-4-(2,3-dimethylcyclopentyl)oxybenzene;2-(7-tert-butylsulfonylheptyl)-3,4-dimethyl-5-(trifluoromethyl)pyridine;4-(7-tert-butylsulfonylheptyl)-2-ethyl-1-(trifluoromethyl)benzene;1-(7-tert-butylsulfonylheptyl)-4-fluorobenzene;2-[4-(7-tert-butylsulfonylheptyl)-3-methylphenyl]-4-methylthiophene;1-(7-tert-butylsulfonyl-3,4,5-trimethylheptyl)-4-(trifluoromethyl)benzene
PubChem CID159758710
Molecular FormulaC148H235F10NO16S8
Molecular Weight2731.01 g/mol
Exact Mass2728.52
IUPAC Name4-(7-tert-butylsulfonylheptyl)-1-cyclopentyloxy-2-ethylbenzene;1-(7-tert-butylsulfonylheptyl)-4-(2,3-dimethylcyclopentyl)oxybenzene;2-(7-tert-butylsulfonylheptyl)-3,4-dimethyl-5-(trifluoromethyl)pyridine;4-(7-tert-butylsulfonylheptyl)-2-ethyl-1-(trifluoromethyl)benzene;1-(7-tert-butylsulfonylheptyl)-4-fluorobenzene;2-[4-(7-tert-butylsulfonylheptyl)-3-methylphenyl]-4-methylthiophene;1-(7-tert-butylsulfonyl-3,4,5-trimethylheptyl)-4-(trifluoromethyl)benzene
SMILESCC(C)(C)S(=O)(=O)CCCCCCCc1ccc(F)cc1.CC(CCc1ccc(C(F)(F)F)cc1)C(C)C(C)CCS(=O)(=O)C(C)(C)C.CC1CCC(Oc2ccc(CCCCCCCS(=O)(=O)C(C)(C)C)cc2)C1C.CCc1cc(CCCCCCCS(=O)(=O)C(C)(C)C)ccc1C(F)(F)F.CCc1cc(CCCCCCCS(=O)(=O)C(C)(C)C)ccc1OC1CCCC1.Cc1c(C(F)(F)F)cnc(CCCCCCCS(=O)(=O)C(C)(C)C)c1C.Cc1csc(-c2ccc(CCCCCCCS(=O)(=O)C(C)(C)C)c(C)c2)c1
InChIInChI=1S/2C24H40O3S.C23H34O2S2.C21H33F3O2S.C20H31F3O2S.C19H30F3NO2S.C17H27FO2S/c1-19-12-17-23(20(19)2)27-22-15-13-21(14-16-22)11-9-7-6-8-10-18-28(25,26)24(3,4)5;1-5-21-19-20(16-17-23(21)27-22-14-10-11-15-22)13-9-7-6-8-12-18-28(25,26)24(2,3)4;1-18-15-22(26-17-18)21-13-12-20(19(2)16-21)11-9-7-6-8-10-14-27(24,25)23(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;1-5-17-15-16(12-13-18(17)20(21,22)23)11-9-7-6-8-10-14-26(24,25)19(2,3)4;1-14-15(2)17(23-13-16(14)19(20,21)22)11-9-7-6-8-10-12-26(24,25)18(3,4)5;1-17(2,3)21(19,20)14-8-6-4-5-7-9-15-10-12-16(18)13-11-15/h13-16,19-20,23H,6-12,17-18H2,1-5H3;16-17,19,22H,5-15,18H2,1-4H3;12-13,15-17H,6-11,14H2,1-5H3;9-12,15-17H,7-8,13-14H2,1-6H3;12-13,15H,5-11,14H2,1-4H3;13H,6-12H2,1-5H3;10-13H,4-9,14H2,1-3H3
InChIKeyNEPJCJDWNGQRKR-UHFFFAOYSA-N
XLogP41.30
TPSA270.33 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds63
Heavy Atoms183
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002731.01
LogP ≤ 541.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze 4-(7-tert-butylsulfonylheptyl)-1-cyclopentyloxy-2-ethylbenzene;1-(7-tert-butylsulfonylheptyl)-4-(2,3-dimethylcyclopentyl)oxybenzene;2-(7-tert-butylsulfonylheptyl)-3,4-dimethyl-5-(trifluoromethyl)pyridine;4-(7-tert-butylsulfonylheptyl)-2-ethyl-1-(trifluoromethyl)benzene;1-(7-tert-butylsulfonylheptyl)-4-fluorobenzene;2-[4-(7-tert-butylsulfonylheptyl)-3-methylphenyl]-4-methylthiophene;1-(7-tert-butylsulfonyl-3,4,5-trimethylheptyl)-4-(trifluoromethyl)benzene 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
1-Cyclopentyloxy-2-ethyl-4-(7-propan-2-ylsulfonylheptyl)benzene;1-(3,5-dimethylcyclohexyl)-4-(7-propan-2-ylsulfonylheptyl)benzene;3,4-dimethyl-2-(7-propan-2-ylsulfonylheptyl)-5-(trifluoromethyl)pyridine;2-ethyl-4-(7-propan-2-ylsulfonylheptyl)-1-(trifluoromethyl)benzene;1-fluoro-4-(7-propan-2-ylsulfonylheptyl)benzene;4-methyl-2-[3-methyl-4-(7-propan-2-ylsulfonylheptyl)phenyl]thiophene;1-(trifluoromethyl)-4-(3,4,5-trimethyl-7-propan-2-ylsulfonylheptyl)benzene
CID 157516303
1-cyclopentyloxy-2-ethyl-4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene;1-(2,3-dimethylcyclopentyl)oxy-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;2-ethyl-4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1-(trifluoromethyl)benzene;4-methyl-2-[3-methyl-4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]thiophene
CID 159200451
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-cyclopentyloxy-2,4-diethylbenzene;2,4-diethyl-1-(trifluoromethyl)benzene;1-(2,3-dimethylcyclopentyl)oxy-4-ethylbenzene;2-ethyl-3,4-dimethyl-5-(trifluoromethyl)pyridine;2-(4-ethyl-3-methylphenyl)-4-methylthiophene;1-ethyl-4-(trifluoromethyl)benzene;pentakis(methylcyclohexane);hexakis(propane-2-sulfinate);(2R)-1,2,4-trimethylcyclohexane
CID 160938413
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
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 4-(7-tert-butylsulfonylheptyl)-1-cyclopentyloxy-2-ethylbenzene;1-(7-tert-butylsulfonylheptyl)-4-(2,3-dimethylcyclopentyl)oxybenzene;2-(7-tert-butylsulfonylheptyl)-3,4-dimethyl-5-(trifluoromethyl)pyridine;4-(7-tert-butylsulfonylheptyl)-2-ethyl-1-(trifluoromethyl)benzene;1-(7-tert-butylsulfonylheptyl)-4-fluorobenzene;2-[4-(7-tert-butylsulfonylheptyl)-3-methylphenyl]-4-methylthiophene;1-(7-tert-butylsulfonyl-3,4,5-trimethylheptyl)-4-(trifluoromethyl)benzene?
The IUPAC name of 4-(7-tert-butylsulfonylheptyl)-1-cyclopentyloxy-2-ethylbenzene;1-(7-tert-butylsulfonylheptyl)-4-(2,3-dimethylcyclopentyl)oxybenzene;2-(7-tert-butylsulfonylheptyl)-3,4-dimethyl-5-(trifluoromethyl)pyridine;4-(7-tert-butylsulfonylheptyl)-2-ethyl-1-(trifluoromethyl)benzene;1-(7-tert-butylsulfonylheptyl)-4-fluorobenzene;2-[4-(7-tert-butylsulfonylheptyl)-3-methylphenyl]-4-methylthiophene;1-(7-tert-butylsulfonyl-3,4,5-trimethylheptyl)-4-(trifluoromethyl)benzene (CID 159758710) is 4-(7-tert-butylsulfonylheptyl)-1-cyclopentyloxy-2-ethylbenzene;1-(7-tert-butylsulfonylheptyl)-4-(2,3-dimethylcyclopentyl)oxybenzene;2-(7-tert-butylsulfonylheptyl)-3,4-dimethyl-5-(trifluoromethyl)pyridine;4-(7-tert-butylsulfonylheptyl)-2-ethyl-1-(trifluoromethyl)benzene;1-(7-tert-butylsulfonylheptyl)-4-fluorobenzene;2-[4-(7-tert-butylsulfonylheptyl)-3-methylphenyl]-4-methylthiophene;1-(7-tert-butylsulfonyl-3,4,5-trimethylheptyl)-4-(trifluoromethyl)benzene.
What is the SMILES notation for 4-(7-tert-butylsulfonylheptyl)-1-cyclopentyloxy-2-ethylbenzene;1-(7-tert-butylsulfonylheptyl)-4-(2,3-dimethylcyclopentyl)oxybenzene;2-(7-tert-butylsulfonylheptyl)-3,4-dimethyl-5-(trifluoromethyl)pyridine;4-(7-tert-butylsulfonylheptyl)-2-ethyl-1-(trifluoromethyl)benzene;1-(7-tert-butylsulfonylheptyl)-4-fluorobenzene;2-[4-(7-tert-butylsulfonylheptyl)-3-methylphenyl]-4-methylthiophene;1-(7-tert-butylsulfonyl-3,4,5-trimethylheptyl)-4-(trifluoromethyl)benzene?
The canonical SMILES for 4-(7-tert-butylsulfonylheptyl)-1-cyclopentyloxy-2-ethylbenzene;1-(7-tert-butylsulfonylheptyl)-4-(2,3-dimethylcyclopentyl)oxybenzene;2-(7-tert-butylsulfonylheptyl)-3,4-dimethyl-5-(trifluoromethyl)pyridine;4-(7-tert-butylsulfonylheptyl)-2-ethyl-1-(trifluoromethyl)benzene;1-(7-tert-butylsulfonylheptyl)-4-fluorobenzene;2-[4-(7-tert-butylsulfonylheptyl)-3-methylphenyl]-4-methylthiophene;1-(7-tert-butylsulfonyl-3,4,5-trimethylheptyl)-4-(trifluoromethyl)benzene is CC(C)(C)S(=O)(=O)CCCCCCCc1ccc(F)cc1.CC(CCc1ccc(C(F)(F)F)cc1)C(C)C(C)CCS(=O)(=O)C(C)(C)C.CC1CCC(Oc2ccc(CCCCCCCS(=O)(=O)C(C)(C)C)cc2)C1C.CCc1cc(CCCCCCCS(=O)(=O)C(C)(C)C)ccc1C(F)(F)F.CCc1cc(CCCCCCCS(=O)(=O)C(C)(C)C)ccc1OC1CCCC1.Cc1c(C(F)(F)F)cnc(CCCCCCCS(=O)(=O)C(C)(C)C)c1C.Cc1csc(-c2ccc(CCCCCCCS(=O)(=O)C(C)(C)C)c(C)c2)c1.
What is the InChIKey of 4-(7-tert-butylsulfonylheptyl)-1-cyclopentyloxy-2-ethylbenzene;1-(7-tert-butylsulfonylheptyl)-4-(2,3-dimethylcyclopentyl)oxybenzene;2-(7-tert-butylsulfonylheptyl)-3,4-dimethyl-5-(trifluoromethyl)pyridine;4-(7-tert-butylsulfonylheptyl)-2-ethyl-1-(trifluoromethyl)benzene;1-(7-tert-butylsulfonylheptyl)-4-fluorobenzene;2-[4-(7-tert-butylsulfonylheptyl)-3-methylphenyl]-4-methylthiophene;1-(7-tert-butylsulfonyl-3,4,5-trimethylheptyl)-4-(trifluoromethyl)benzene?
The InChIKey is NEPJCJDWNGQRKR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H40O3S.C23H34O2S2.C21H33F3O2S.C20H31F3O2S.C19H30F3NO2S.C17H27FO2S/c1-19-12-17-23(20(19)2)27-22-15-13-21(14-16-22)11-9-7-6-8-10-18-28(25,26)24(3,4)5;1-5-21-19-20(16-17-23(21)27-22-14-10-11-15-22)13-9-7-6-8-12-18-28(25,26)24(2,3)4;1-18-15-22(26-17-18)21-13-12-20(19(2)16-21)11-9-7-6-8-10-14-27(24,25)23(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;1-5-17-15-16(12-13-18(17)20(21,22)23)11-9-7-6-8-10-14-26(24,25)19(2,3)4;1-14-15(2)17(23-13-16(14)19(20,21)22)11-9-7-6-8-10-12-26(24,25)18(3,4)5;1-17(2,3)21(19,20)14-8-6-4-5-7-9-15-10-12-16(18)13-11-15/h13-16,19-20,23H,6-12,17-18H2,1-5H3;16-17,19,22H,5-15,18H2,1-4H3;12-13,15-17H,6-11,14H2,1-5H3;9-12,15-17H,7-8,13-14H2,1-6H3;12-13,15H,5-11,14H2,1-4H3;13H,6-12H2,1-5H3;10-13H,4-9,14H2,1-3H3.
What are the key properties of 4-(7-tert-butylsulfonylheptyl)-1-cyclopentyloxy-2-ethylbenzene;1-(7-tert-butylsulfonylheptyl)-4-(2,3-dimethylcyclopentyl)oxybenzene;2-(7-tert-butylsulfonylheptyl)-3,4-dimethyl-5-(trifluoromethyl)pyridine;4-(7-tert-butylsulfonylheptyl)-2-ethyl-1-(trifluoromethyl)benzene;1-(7-tert-butylsulfonylheptyl)-4-fluorobenzene;2-[4-(7-tert-butylsulfonylheptyl)-3-methylphenyl]-4-methylthiophene;1-(7-tert-butylsulfonyl-3,4,5-trimethylheptyl)-4-(trifluoromethyl)benzene?
4-(7-tert-butylsulfonylheptyl)-1-cyclopentyloxy-2-ethylbenzene;1-(7-tert-butylsulfonylheptyl)-4-(2,3-dimethylcyclopentyl)oxybenzene;2-(7-tert-butylsulfonylheptyl)-3,4-dimethyl-5-(trifluoromethyl)pyridine;4-(7-tert-butylsulfonylheptyl)-2-ethyl-1-(trifluoromethyl)benzene;1-(7-tert-butylsulfonylheptyl)-4-fluorobenzene;2-[4-(7-tert-butylsulfonylheptyl)-3-methylphenyl]-4-methylthiophene;1-(7-tert-butylsulfonyl-3,4,5-trimethylheptyl)-4-(trifluoromethyl)benzene has a molecular weight of 2731.01 g/mol, XLogP of 41.30, 63 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-tert-butylsulfonylheptyl)-1-cyclopentyloxy-2-ethylbenzene;1-(7-tert-butylsulfonylheptyl)-4-(2,3-dimethylcyclopentyl)oxybenzene;2-(7-tert-butylsulfonylheptyl)-3,4-dimethyl-5-(trifluoromethyl)pyridine;4-(7-tert-butylsulfonylheptyl)-2-ethyl-1-(trifluoromethyl)benzene;1-(7-tert-butylsulfonylheptyl)-4-fluorobenzene;2-[4-(7-tert-butylsulfonylheptyl)-3-methylphenyl]-4-methylthiophene;1-(7-tert-butylsulfonyl-3,4,5-trimethylheptyl)-4-(trifluoromethyl)benzene is sourced from PubChem (CID 159758710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).