1-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-2,4-dichlorobenzene;4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-1,2-dichlorobenzene;(2R,6S)-4-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-2,3-difluorophenyl]-2,6-dimethylmorpholine;4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-1,2-dimethoxybenzene;(2R,6S)-4-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-3-methylphenyl]-2,6-dimethylmorpholine;(2S,6R)-4-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-2,3,5,6-tetrafluorophenyl]-2,6-dimethylmorpholine

C135H209Cl4F6N3O17S6 — CID 157344718

About 1-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-2,4-dichlorobenzene;4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-1,2-dichlorobenzene;(2R,6S)-4-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-2,3-difluorophenyl]-2,6-dimethylmorpholine;4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-1,2-dimethoxybenzene;(2R,6S)-4-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-3-methylphenyl]-2,6-dimethylmorpholine;(2S,6R)-4-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-2,3,5,6-tetrafluorophenyl]-2,6-dimethylmorpholine

1-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-2,4-dichlorobenzene;4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-1,2-dichlorobenzene;(2R,6S)-4-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-2,3-difluorophenyl]-2,6-dimethylmorpholine;4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-1,2-dimethoxybenzene;(2R,6S)-4-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-3-methylphenyl]-2,6-dimethylmorpholine;(2S,6R)-4-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-2,3,5,6-tetrafluorophenyl]-2,6-dimethylmorpholine (PubChem CID 157344718) has the molecular formula C135H209Cl4F6N3O17S6 and a molecular weight of 2594.36 g/mol. Its IUPAC name is 1-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-2,4-dichlorobenzene;4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-1,2-dichlorobenzene;(2R,6S)-4-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-2,3-difluorophenyl]-2,6-dimethylmorpholine;4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-1,2-dimethoxybenzene;(2R,6S)-4-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-3-methylphenyl]-2,6-dimethylmorpholine;(2S,6R)-4-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-2,3,5,6-tetrafluorophenyl]-2,6-dimethylmorpholine.

Molecular Properties

• Compound Name: 1-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-2,4-dichlorobenzene;4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-1,2-dichlorobenzene;(2R,6S)-4-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-2,3-difluorophenyl]-2,6-dimethylmorpholine;4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-1,2-dimethoxybenzene;(2R,6S)-4-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-3-methylphenyl]-2,6-dimethylmorpholine;(2S,6R)-4-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-2,3,5,6-tetrafluorophenyl]-2,6-dimethylmorpholine
• PubChem CID: 157344718
• Molecular Formula: C135H209Cl4F6N3O17S6
• Molecular Weight: 2594.36 g/mol
• Exact Mass: 2590.26
• IUPAC Name: 1-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-2,4-dichlorobenzene;4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-1,2-dichlorobenzene;(2R,6S)-4-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-2,3-difluorophenyl]-2,6-dimethylmorpholine;4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-1,2-dimethoxybenzene;(2R,6S)-4-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-3-methylphenyl]-2,6-dimethylmorpholine;(2S,6R)-4-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-2,3,5,6-tetrafluorophenyl]-2,6-dimethylmorpholine
• SMILES: CC(C)(C)S(=O)(=O)CC1CCC(CCc2ccc(Cl)c(Cl)c2)CC1.CC(C)(C)S(=O)(=O)CC1CCC(CCc2ccc(Cl)cc2Cl)CC1.COc1ccc(CCC2CCC(CS(=O)(=O)C(C)(C)C)CC2)cc1OC.C[C@@H]1CN(c2c(F)c(F)c(CCC3CCC(CS(=O)(=O)C(C)(C)C)CC3)c(F)c2F)C[C@H](C)O1.C[C@@H]1CN(c2ccc(CCC3CCC(CS(=O)(=O)C(C)(C)C)CC3)c(F)c2F)C[C@H](C)O1.Cc1cc(N2C[C@@H](C)O[C@@H](C)C2)ccc1CCC1CCC(CS(=O)(=O)C(C)(C)C)CC1
• InChI: InChI=1S/C26H43NO3S.C25H37F4NO3S.C25H39F2NO3S.C21H34O4S.2C19H28Cl2O2S/c1-19-15-25(27-16-20(2)30-21(3)17-27)14-13-24(19)12-11-22-7-9-23(10-8-22)18-31(28,29)26(4,5)6;1-15-12-30(13-16(2)33-15)24-22(28)20(26)19(21(27)23(24)29)11-10-17-6-8-18(9-7-17)14-34(31,32)25(3,4)5;1-17-14-28(15-18(2)31-17)22-13-12-21(23(26)24(22)27)11-10-19-6-8-20(9-7-19)16-32(29,30)25(3,4)5;1-21(2,3)26(22,23)15-18-10-7-16(8-11-18)6-9-17-12-13-19(24-4)20(14-17)25-5;1-19(2,3)24(22,23)13-16-8-5-14(6-9-16)4-7-15-10-11-17(20)18(21)12-15;1-19(2,3)24(22,23)13-15-6-4-14(5-7-15)8-9-16-10-11-17(20)12-18(16)21/h13-15,20-23H,7-12,16-18H2,1-6H3;15-18H,6-14H2,1-5H3;12-13,17-20H,6-11,14-16H2,1-5H3;12-14,16,18H,6-11,15H2,1-5H3;10-12,14,16H,4-9,13H2,1-3H3;10-12,14-15H,4-9,13H2,1-3H3/t20-,21+,22?,23?;15-,16+,17?,18?;17-,18+,19?,20?
• InChIKey: BGUXGVMQYJFQSU-MTIVXTHUSA-N
• XLogP: 33.45
• TPSA: 260.71 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 35
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2594.36
LogP ≤ 5	33.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-2,4-dichlorobenzene;4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-1,2-dichlorobenzene;(2R,6S)-4-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-2,3-difluorophenyl]-2,6-dimethylmorpholine;4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-1,2-dimethoxybenzene;(2R,6S)-4-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-3-methylphenyl]-2,6-dimethylmorpholine;(2S,6R)-4-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-2,3,5,6-tetrafluorophenyl]-2,6-dimethylmorpholine?

The IUPAC name of 1-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-2,4-dichlorobenzene;4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-1,2-dichlorobenzene;(2R,6S)-4-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-2,3-difluorophenyl]-2,6-dimethylmorpholine;4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-1,2-dimethoxybenzene;(2R,6S)-4-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-3-methylphenyl]-2,6-dimethylmorpholine;(2S,6R)-4-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-2,3,5,6-tetrafluorophenyl]-2,6-dimethylmorpholine (CID 157344718) is 1-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-2,4-dichlorobenzene;4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-1,2-dichlorobenzene;(2R,6S)-4-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-2,3-difluorophenyl]-2,6-dimethylmorpholine;4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-1,2-dimethoxybenzene;(2R,6S)-4-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-3-methylphenyl]-2,6-dimethylmorpholine;(2S,6R)-4-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-2,3,5,6-tetrafluorophenyl]-2,6-dimethylmorpholine.

What is the SMILES notation for 1-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-2,4-dichlorobenzene;4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-1,2-dichlorobenzene;(2R,6S)-4-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-2,3-difluorophenyl]-2,6-dimethylmorpholine;4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-1,2-dimethoxybenzene;(2R,6S)-4-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-3-methylphenyl]-2,6-dimethylmorpholine;(2S,6R)-4-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-2,3,5,6-tetrafluorophenyl]-2,6-dimethylmorpholine?

The canonical SMILES for 1-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-2,4-dichlorobenzene;4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-1,2-dichlorobenzene;(2R,6S)-4-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-2,3-difluorophenyl]-2,6-dimethylmorpholine;4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-1,2-dimethoxybenzene;(2R,6S)-4-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-3-methylphenyl]-2,6-dimethylmorpholine;(2S,6R)-4-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-2,3,5,6-tetrafluorophenyl]-2,6-dimethylmorpholine is CC(C)(C)S(=O)(=O)CC1CCC(CCc2ccc(Cl)c(Cl)c2)CC1.CC(C)(C)S(=O)(=O)CC1CCC(CCc2ccc(Cl)cc2Cl)CC1.COc1ccc(CCC2CCC(CS(=O)(=O)C(C)(C)C)CC2)cc1OC.C[C@@H]1CN(c2c(F)c(F)c(CCC3CCC(CS(=O)(=O)C(C)(C)C)CC3)c(F)c2F)C[C@H](C)O1.C[C@@H]1CN(c2ccc(CCC3CCC(CS(=O)(=O)C(C)(C)C)CC3)c(F)c2F)C[C@H](C)O1.Cc1cc(N2C[C@@H](C)O[C@@H](C)C2)ccc1CCC1CCC(CS(=O)(=O)C(C)(C)C)CC1.

What is the InChIKey of 1-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-2,4-dichlorobenzene;4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-1,2-dichlorobenzene;(2R,6S)-4-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-2,3-difluorophenyl]-2,6-dimethylmorpholine;4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-1,2-dimethoxybenzene;(2R,6S)-4-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-3-methylphenyl]-2,6-dimethylmorpholine;(2S,6R)-4-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-2,3,5,6-tetrafluorophenyl]-2,6-dimethylmorpholine?

The InChIKey is BGUXGVMQYJFQSU-MTIVXTHUSA-N. The full InChI is InChI=1S/C26H43NO3S.C25H37F4NO3S.C25H39F2NO3S.C21H34O4S.2C19H28Cl2O2S/c1-19-15-25(27-16-20(2)30-21(3)17-27)14-13-24(19)12-11-22-7-9-23(10-8-22)18-31(28,29)26(4,5)6;1-15-12-30(13-16(2)33-15)24-22(28)20(26)19(21(27)23(24)29)11-10-17-6-8-18(9-7-17)14-34(31,32)25(3,4)5;1-17-14-28(15-18(2)31-17)22-13-12-21(23(26)24(22)27)11-10-19-6-8-20(9-7-19)16-32(29,30)25(3,4)5;1-21(2,3)26(22,23)15-18-10-7-16(8-11-18)6-9-17-12-13-19(24-4)20(14-17)25-5;1-19(2,3)24(22,23)13-16-8-5-14(6-9-16)4-7-15-10-11-17(20)18(21)12-15;1-19(2,3)24(22,23)13-15-6-4-14(5-7-15)8-9-16-10-11-17(20)12-18(16)21/h13-15,20-23H,7-12,16-18H2,1-6H3;15-18H,6-14H2,1-5H3;12-13,17-20H,6-11,14-16H2,1-5H3;12-14,16,18H,6-11,15H2,1-5H3;10-12,14,16H,4-9,13H2,1-3H3;10-12,14-15H,4-9,13H2,1-3H3/t20-,21+,22?,23?;15-,16+,17?,18?;17-,18+,19?,20?;;;.

What are the key properties of 1-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-2,4-dichlorobenzene;4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-1,2-dichlorobenzene;(2R,6S)-4-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-2,3-difluorophenyl]-2,6-dimethylmorpholine;4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-1,2-dimethoxybenzene;(2R,6S)-4-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-3-methylphenyl]-2,6-dimethylmorpholine;(2S,6R)-4-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-2,3,5,6-tetrafluorophenyl]-2,6-dimethylmorpholine?

1-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-2,4-dichlorobenzene;4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-1,2-dichlorobenzene;(2R,6S)-4-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-2,3-difluorophenyl]-2,6-dimethylmorpholine;4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-1,2-dimethoxybenzene;(2R,6S)-4-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-3-methylphenyl]-2,6-dimethylmorpholine;(2S,6R)-4-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-2,3,5,6-tetrafluorophenyl]-2,6-dimethylmorpholine has a molecular weight of 2594.36 g/mol, XLogP of 33.45, 35 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-2,4-dichlorobenzene;4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-1,2-dichlorobenzene;(2R,6S)-4-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-2,3-difluorophenyl]-2,6-dimethylmorpholine;4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-1,2-dimethoxybenzene;(2R,6S)-4-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-3-methylphenyl]-2,6-dimethylmorpholine;(2S,6R)-4-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-2,3,5,6-tetrafluorophenyl]-2,6-dimethylmorpholine is sourced from PubChem (CID 157344718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).