(2R,6S)-4-[4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-2,3-difluorophenyl]-2,6-dimethylmorpholine;4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-1,2-dimethoxybenzene;4-chloro-1-methoxy-2-[2-(4-methylphenyl)ethyl]benzene;1,2-dichloro-4-[2-(4-methylphenyl)ethyl]benzene;2,4-dichloro-1-[2-(4-methylphenyl)ethyl]benzene;(2S,6R)-2,6-dimethyl-4-[2,3,5,6-tetrafluoro-4-[2-(4-methylphenyl)ethyl]phenyl]morpholine;tetrakis(2-methylpropane-2-sulfinate)

C129H165Cl5F6N2O17S6-4 — CID 159984450

About (2R,6S)-4-[4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-2,3-difluorophenyl]-2,6-dimethylmorpholine;4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-1,2-dimethoxybenzene;4-chloro-1-methoxy-2-[2-(4-methylphenyl)ethyl]benzene;1,2-dichloro-4-[2-(4-methylphenyl)ethyl]benzene;2,4-dichloro-1-[2-(4-methylphenyl)ethyl]benzene;(2S,6R)-2,6-dimethyl-4-[2,3,5,6-tetrafluoro-4-[2-(4-methylphenyl)ethyl]phenyl]morpholine;tetrakis(2-methylpropane-2-sulfinate)

(2R,6S)-4-[4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-2,3-difluorophenyl]-2,6-dimethylmorpholine;4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-1,2-dimethoxybenzene;4-chloro-1-methoxy-2-[2-(4-methylphenyl)ethyl]benzene;1,2-dichloro-4-[2-(4-methylphenyl)ethyl]benzene;2,4-dichloro-1-[2-(4-methylphenyl)ethyl]benzene;(2S,6R)-2,6-dimethyl-4-[2,3,5,6-tetrafluoro-4-[2-(4-methylphenyl)ethyl]phenyl]morpholine;tetrakis(2-methylpropane-2-sulfinate) (PubChem CID 159984450) has the molecular formula C129H165Cl5F6N2O17S6-4 and a molecular weight of 2499.39 g/mol. Its IUPAC name is (2R,6S)-4-[4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-2,3-difluorophenyl]-2,6-dimethylmorpholine;4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-1,2-dimethoxybenzene;4-chloro-1-methoxy-2-[2-(4-methylphenyl)ethyl]benzene;1,2-dichloro-4-[2-(4-methylphenyl)ethyl]benzene;2,4-dichloro-1-[2-(4-methylphenyl)ethyl]benzene;(2S,6R)-2,6-dimethyl-4-[2,3,5,6-tetrafluoro-4-[2-(4-methylphenyl)ethyl]phenyl]morpholine;tetrakis(2-methylpropane-2-sulfinate).

Molecular Properties

• Compound Name: (2R,6S)-4-[4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-2,3-difluorophenyl]-2,6-dimethylmorpholine;4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-1,2-dimethoxybenzene;4-chloro-1-methoxy-2-[2-(4-methylphenyl)ethyl]benzene;1,2-dichloro-4-[2-(4-methylphenyl)ethyl]benzene;2,4-dichloro-1-[2-(4-methylphenyl)ethyl]benzene;(2S,6R)-2,6-dimethyl-4-[2,3,5,6-tetrafluoro-4-[2-(4-methylphenyl)ethyl]phenyl]morpholine;tetrakis(2-methylpropane-2-sulfinate)
• PubChem CID: 159984450
• Molecular Formula: C129H165Cl5F6N2O17S6-4
• Molecular Weight: 2499.39 g/mol
• Exact Mass: 2494.88
• IUPAC Name: (2R,6S)-4-[4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-2,3-difluorophenyl]-2,6-dimethylmorpholine;4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-1,2-dimethoxybenzene;4-chloro-1-methoxy-2-[2-(4-methylphenyl)ethyl]benzene;1,2-dichloro-4-[2-(4-methylphenyl)ethyl]benzene;2,4-dichloro-1-[2-(4-methylphenyl)ethyl]benzene;(2S,6R)-2,6-dimethyl-4-[2,3,5,6-tetrafluoro-4-[2-(4-methylphenyl)ethyl]phenyl]morpholine;tetrakis(2-methylpropane-2-sulfinate)
• SMILES: CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].COc1ccc(CCc2ccc(CS(=O)(=O)C(C)(C)C)cc2)cc1OC.COc1ccc(Cl)cc1CCc1ccc(C)cc1.C[C@@H]1CN(c2ccc(CCc3ccc(CS(=O)(=O)C(C)(C)C)cc3)c(F)c2F)C[C@H](C)O1.Cc1ccc(CCc2c(F)c(F)c(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2F)cc1.Cc1ccc(CCc2ccc(Cl)c(Cl)c2)cc1.Cc1ccc(CCc2ccc(Cl)cc2Cl)cc1
• InChI: InChI=1S/C25H33F2NO3S.C21H23F4NO.C21H28O4S.C16H17ClO.2C15H14Cl2.4C4H10O2S/c1-17-14-28(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;1-12-4-6-15(7-5-12)8-9-16-17(22)19(24)21(20(25)18(16)23)26-10-13(2)27-14(3)11-26;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;1-12-3-5-13(6-4-12)7-8-14-11-15(17)9-10-16(14)18-2;1-11-2-4-12(5-3-11)6-7-13-8-9-14(16)10-15(13)17;1-11-2-4-12(5-3-11)6-7-13-8-9-14(16)15(17)10-13;4*1-4(2,3)7(5)6/h6-9,12-13,17-18H,10-11,14-16H2,1-5H3;4-7,13-14H,8-11H2,1-3H3;7-8,10-14H,6,9,15H2,1-5H3;3-6,9-11H,7-8H2,1-2H3;2*2-5,8-10H,6-7H2,1H3;4*1-3H3,(H,5,6)/p-4/t17-,18+;13-,14+
• InChIKey: FKWIFWDYYRRHAC-UMACOOPOSA-J
• XLogP: 31.50
• TPSA: 281.43 Ų
• H-Bond Acceptors: 19
• Rotatable Bonds: 27
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2499.39
LogP ≤ 5	31.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R,6S)-4-[4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-2,3-difluorophenyl]-2,6-dimethylmorpholine;4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-1,2-dimethoxybenzene;4-chloro-1-methoxy-2-[2-(4-methylphenyl)ethyl]benzene;1,2-dichloro-4-[2-(4-methylphenyl)ethyl]benzene;2,4-dichloro-1-[2-(4-methylphenyl)ethyl]benzene;(2S,6R)-2,6-dimethyl-4-[2,3,5,6-tetrafluoro-4-[2-(4-methylphenyl)ethyl]phenyl]morpholine;tetrakis(2-methylpropane-2-sulfinate)?

The IUPAC name of (2R,6S)-4-[4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-2,3-difluorophenyl]-2,6-dimethylmorpholine;4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-1,2-dimethoxybenzene;4-chloro-1-methoxy-2-[2-(4-methylphenyl)ethyl]benzene;1,2-dichloro-4-[2-(4-methylphenyl)ethyl]benzene;2,4-dichloro-1-[2-(4-methylphenyl)ethyl]benzene;(2S,6R)-2,6-dimethyl-4-[2,3,5,6-tetrafluoro-4-[2-(4-methylphenyl)ethyl]phenyl]morpholine;tetrakis(2-methylpropane-2-sulfinate) (CID 159984450) is (2R,6S)-4-[4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-2,3-difluorophenyl]-2,6-dimethylmorpholine;4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-1,2-dimethoxybenzene;4-chloro-1-methoxy-2-[2-(4-methylphenyl)ethyl]benzene;1,2-dichloro-4-[2-(4-methylphenyl)ethyl]benzene;2,4-dichloro-1-[2-(4-methylphenyl)ethyl]benzene;(2S,6R)-2,6-dimethyl-4-[2,3,5,6-tetrafluoro-4-[2-(4-methylphenyl)ethyl]phenyl]morpholine;tetrakis(2-methylpropane-2-sulfinate).

What is the SMILES notation for (2R,6S)-4-[4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-2,3-difluorophenyl]-2,6-dimethylmorpholine;4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-1,2-dimethoxybenzene;4-chloro-1-methoxy-2-[2-(4-methylphenyl)ethyl]benzene;1,2-dichloro-4-[2-(4-methylphenyl)ethyl]benzene;2,4-dichloro-1-[2-(4-methylphenyl)ethyl]benzene;(2S,6R)-2,6-dimethyl-4-[2,3,5,6-tetrafluoro-4-[2-(4-methylphenyl)ethyl]phenyl]morpholine;tetrakis(2-methylpropane-2-sulfinate)?

The canonical SMILES for (2R,6S)-4-[4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-2,3-difluorophenyl]-2,6-dimethylmorpholine;4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-1,2-dimethoxybenzene;4-chloro-1-methoxy-2-[2-(4-methylphenyl)ethyl]benzene;1,2-dichloro-4-[2-(4-methylphenyl)ethyl]benzene;2,4-dichloro-1-[2-(4-methylphenyl)ethyl]benzene;(2S,6R)-2,6-dimethyl-4-[2,3,5,6-tetrafluoro-4-[2-(4-methylphenyl)ethyl]phenyl]morpholine;tetrakis(2-methylpropane-2-sulfinate) is CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].COc1ccc(CCc2ccc(CS(=O)(=O)C(C)(C)C)cc2)cc1OC.COc1ccc(Cl)cc1CCc1ccc(C)cc1.C[C@@H]1CN(c2ccc(CCc3ccc(CS(=O)(=O)C(C)(C)C)cc3)c(F)c2F)C[C@H](C)O1.Cc1ccc(CCc2c(F)c(F)c(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2F)cc1.Cc1ccc(CCc2ccc(Cl)c(Cl)c2)cc1.Cc1ccc(CCc2ccc(Cl)cc2Cl)cc1.

What is the InChIKey of (2R,6S)-4-[4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-2,3-difluorophenyl]-2,6-dimethylmorpholine;4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-1,2-dimethoxybenzene;4-chloro-1-methoxy-2-[2-(4-methylphenyl)ethyl]benzene;1,2-dichloro-4-[2-(4-methylphenyl)ethyl]benzene;2,4-dichloro-1-[2-(4-methylphenyl)ethyl]benzene;(2S,6R)-2,6-dimethyl-4-[2,3,5,6-tetrafluoro-4-[2-(4-methylphenyl)ethyl]phenyl]morpholine;tetrakis(2-methylpropane-2-sulfinate)?

The InChIKey is FKWIFWDYYRRHAC-UMACOOPOSA-J. The full InChI is InChI=1S/C25H33F2NO3S.C21H23F4NO.C21H28O4S.C16H17ClO.2C15H14Cl2.4C4H10O2S/c1-17-14-28(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;1-12-4-6-15(7-5-12)8-9-16-17(22)19(24)21(20(25)18(16)23)26-10-13(2)27-14(3)11-26;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;1-12-3-5-13(6-4-12)7-8-14-11-15(17)9-10-16(14)18-2;1-11-2-4-12(5-3-11)6-7-13-8-9-14(16)10-15(13)17;1-11-2-4-12(5-3-11)6-7-13-8-9-14(16)15(17)10-13;4*1-4(2,3)7(5)6/h6-9,12-13,17-18H,10-11,14-16H2,1-5H3;4-7,13-14H,8-11H2,1-3H3;7-8,10-14H,6,9,15H2,1-5H3;3-6,9-11H,7-8H2,1-2H3;2*2-5,8-10H,6-7H2,1H3;4*1-3H3,(H,5,6)/p-4/t17-,18+;13-,14+;;;;;;;;.

What are the key properties of (2R,6S)-4-[4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-2,3-difluorophenyl]-2,6-dimethylmorpholine;4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-1,2-dimethoxybenzene;4-chloro-1-methoxy-2-[2-(4-methylphenyl)ethyl]benzene;1,2-dichloro-4-[2-(4-methylphenyl)ethyl]benzene;2,4-dichloro-1-[2-(4-methylphenyl)ethyl]benzene;(2S,6R)-2,6-dimethyl-4-[2,3,5,6-tetrafluoro-4-[2-(4-methylphenyl)ethyl]phenyl]morpholine;tetrakis(2-methylpropane-2-sulfinate)?

(2R,6S)-4-[4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-2,3-difluorophenyl]-2,6-dimethylmorpholine;4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-1,2-dimethoxybenzene;4-chloro-1-methoxy-2-[2-(4-methylphenyl)ethyl]benzene;1,2-dichloro-4-[2-(4-methylphenyl)ethyl]benzene;2,4-dichloro-1-[2-(4-methylphenyl)ethyl]benzene;(2S,6R)-2,6-dimethyl-4-[2,3,5,6-tetrafluoro-4-[2-(4-methylphenyl)ethyl]phenyl]morpholine;tetrakis(2-methylpropane-2-sulfinate) has a molecular weight of 2499.39 g/mol, XLogP of 31.50, 27 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,6S)-4-[4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-2,3-difluorophenyl]-2,6-dimethylmorpholine;4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-1,2-dimethoxybenzene;4-chloro-1-methoxy-2-[2-(4-methylphenyl)ethyl]benzene;1,2-dichloro-4-[2-(4-methylphenyl)ethyl]benzene;2,4-dichloro-1-[2-(4-methylphenyl)ethyl]benzene;(2S,6R)-2,6-dimethyl-4-[2,3,5,6-tetrafluoro-4-[2-(4-methylphenyl)ethyl]phenyl]morpholine;tetrakis(2-methylpropane-2-sulfinate) is sourced from PubChem (CID 159984450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).