2-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-4-chloro-1-methoxybenzene;1-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-2,4-dichlorobenzene;4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-1,2-dichlorobenzene;4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-1,2-dimethoxybenzene;4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-2-fluoro-1-methoxybenzene;(3S,5R)-1-[4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]phenyl]-3,5-dimethylpiperidine;(2R,6S)-4-[4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-2,3,5,6-tetrafluorophenyl]-2,6-dimethylmorpholine

C150H190Cl5F5N2O19S7 — CID 159075645

IUPAC2-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-4-chloro-1-methoxybenzene;1-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-2,4-dichlorobenzene;4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-1,2-dichlorobenzene;4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-1,2-dimethoxybenzene;4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-2-fluoro-1-methoxybenzene;(3S,5R)-1-[4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]phenyl]-3,5-dimethylpiperidine;(2R,6S)-4-[4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-2,3,5,6-tetrafluorophenyl]-2,6-dimethylmorpholine
SMILESCC(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)cc1F.COc1ccc(CCc2ccc(CS(=O)(=O)C(C)(C)C)cc2)cc1OC.COc1ccc(Cl)cc1CCc1ccc(CS(=O)(=O)C(C)(C)C)cc1.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]1C[C@H](C)CN(c2ccc(CCc3ccc(CS(=O)(=O)C(C)(C)C)cc3)cc2)C1
InChIInChI=1S/C26H37NO2S.C25H31F4NO3S.C21H28O4S.C20H25ClO3S.C20H25FO3S.2C19H22Cl2O2S/c1-20-16-21(2)18-27(17-20)25-14-12-23(13-15-25)7-6-22-8-10-24(11-9-22)19-30(28,29)26(3,4)5;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;1-21(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;1-20(2,3)25(22,23)14-16-7-5-15(6-8-16)9-10-17-13-18(21)11-12-19(17)24-4;1-20(2,3)25(22,23)14-17-9-6-15(7-10-17)5-8-16-11-12-19(24-4)18(21)13-16;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/h8-15,20-21H,6-7,16-19H2,1-5H3;6-9,15-16H,10-14H2,1-5H3;7-8,10-14H,6,9,15H2,1-5H3;5-8,11-13H,9-10,14H2,1-4H3;6-7,9-13H,5,8,14H2,1-4H3;5-6,8-12H,4,7,13H2,1-3H3;4-7,10-12H,8-9,13H2,1-3H3/t20-,21+;15-,16+;;;;;
InChIKeyKAFDLYILTFIRQU-QWCKIRJDSA-N
MW2821.89 g/mol
LogP35.39
Rot. Bonds41

About 2-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-4-chloro-1-methoxybenzene;1-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-2,4-dichlorobenzene;4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-1,2-dichlorobenzene;4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-1,2-dimethoxybenzene;4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-2-fluoro-1-methoxybenzene;(3S,5R)-1-[4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]phenyl]-3,5-dimethylpiperidine;(2R,6S)-4-[4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-2,3,5,6-tetrafluorophenyl]-2,6-dimethylmorpholine

2-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-4-chloro-1-methoxybenzene;1-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-2,4-dichlorobenzene;4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-1,2-dichlorobenzene;4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-1,2-dimethoxybenzene;4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-2-fluoro-1-methoxybenzene;(3S,5R)-1-[4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]phenyl]-3,5-dimethylpiperidine;(2R,6S)-4-[4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-2,3,5,6-tetrafluorophenyl]-2,6-dimethylmorpholine (PubChem CID 159075645) has the molecular formula C150H190Cl5F5N2O19S7 and a molecular weight of 2821.89 g/mol. Its IUPAC name is 2-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-4-chloro-1-methoxybenzene;1-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-2,4-dichlorobenzene;4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-1,2-dichlorobenzene;4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-1,2-dimethoxybenzene;4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-2-fluoro-1-methoxybenzene;(3S,5R)-1-[4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]phenyl]-3,5-dimethylpiperidine;(2R,6S)-4-[4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-2,3,5,6-tetrafluorophenyl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name2-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-4-chloro-1-methoxybenzene;1-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-2,4-dichlorobenzene;4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-1,2-dichlorobenzene;4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-1,2-dimethoxybenzene;4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-2-fluoro-1-methoxybenzene;(3S,5R)-1-[4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]phenyl]-3,5-dimethylpiperidine;(2R,6S)-4-[4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-2,3,5,6-tetrafluorophenyl]-2,6-dimethylmorpholine
PubChem CID159075645
Molecular FormulaC150H190Cl5F5N2O19S7
Molecular Weight2821.89 g/mol
Exact Mass2817.04
IUPAC Name2-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-4-chloro-1-methoxybenzene;1-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-2,4-dichlorobenzene;4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-1,2-dichlorobenzene;4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-1,2-dimethoxybenzene;4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-2-fluoro-1-methoxybenzene;(3S,5R)-1-[4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]phenyl]-3,5-dimethylpiperidine;(2R,6S)-4-[4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-2,3,5,6-tetrafluorophenyl]-2,6-dimethylmorpholine
SMILESCC(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)cc1F.COc1ccc(CCc2ccc(CS(=O)(=O)C(C)(C)C)cc2)cc1OC.COc1ccc(Cl)cc1CCc1ccc(CS(=O)(=O)C(C)(C)C)cc1.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]1C[C@H](C)CN(c2ccc(CCc3ccc(CS(=O)(=O)C(C)(C)C)cc3)cc2)C1
InChIInChI=1S/C26H37NO2S.C25H31F4NO3S.C21H28O4S.C20H25ClO3S.C20H25FO3S.2C19H22Cl2O2S/c1-20-16-21(2)18-27(17-20)25-14-12-23(13-15-25)7-6-22-8-10-24(11-9-22)19-30(28,29)26(3,4)5;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;1-21(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;1-20(2,3)25(22,23)14-16-7-5-15(6-8-16)9-10-17-13-18(21)11-12-19(17)24-4;1-20(2,3)25(22,23)14-17-9-6-15(7-10-17)5-8-16-11-12-19(24-4)18(21)13-16;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/h8-15,20-21H,6-7,16-19H2,1-5H3;6-9,15-16H,10-14H2,1-5H3;7-8,10-14H,6,9,15H2,1-5H3;5-8,11-13H,9-10,14H2,1-4H3;6-7,9-13H,5,8,14H2,1-4H3;5-6,8-12H,4,7,13H2,1-3H3;4-7,10-12H,8-9,13H2,1-3H3/t20-,21+;15-,16+;;;;;
InChIKeyKAFDLYILTFIRQU-QWCKIRJDSA-N
XLogP35.39
TPSA291.61 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds41
Heavy Atoms188
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002821.89
LogP ≤ 535.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

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

Analyze 2-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-4-chloro-1-methoxybenzene;1-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-2,4-dichlorobenzene;4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-1,2-dichlorobenzene;4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-1,2-dimethoxybenzene;4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-2-fluoro-1-methoxybenzene;(3S,5R)-1-[4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]phenyl]-3,5-dimethylpiperidine;(2R,6S)-4-[4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-2,3,5,6-tetrafluorophenyl]-2,6-dimethylmorpholine with MolForge

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Related Compounds

2-(7-tert-butylsulfonylheptyl)-4-chloro-1-methoxybenzene;1-(7-tert-butylsulfonylheptyl)-2,4-dichlorobenzene;4-(7-tert-butylsulfonylheptyl)-1,2-dichlorobenzene;(2R)-4-[4-(7-tert-butylsulfonylheptyl)-2,3-difluorophenyl]-2-methylmorpholine;4-(7-tert-butylsulfonylheptyl)-1,2-dimethoxybenzene;4-(7-tert-butylsulfonylheptyl)-2-fluoro-1-methoxybenzene;(3R,5S)-1-[4-(7-tert-butylsulfonylheptyl)phenyl]-3,5-dimethylpiperidine;(2S,6R)-4-[4-(7-tert-butylsulfonylheptyl)-2,3,5,6-tetrafluorophenyl]-2,6-dimethylmorpholine
CID 159702487
(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
(2S,6R)-4-[4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-2-chlorophenyl]-2,6-dimethylmorpholine
CID 161404706
N-(5-chloro-2-methoxyphenyl)-5-(propan-2-ylsulfonylamino)pentanamide;N-(2,4-dichlorophenyl)-5-(propan-2-ylsulfonylamino)pentanamide;N-(3,4-dichlorophenyl)-5-(propan-2-ylsulfonylamino)pentanamide;N-(3,4-dimethoxyphenyl)-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2,3-difluorophenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylphenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2,3,5,6-tetrafluorophenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-(3-fluoro-4-methoxyphenyl)-5-(propan-2-ylsulfonylamino)pentanamide
CID 162177584
1-[4-(tert-butylsulfonylmethyl)phenyl]-2-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]phenyl]ethanone
CID 58144957
N-[(4-aminophenyl)methyl]-5-chloro-2-methoxyaniline;N-[(4-aminophenyl)methyl]-2,4-dichloroaniline;N-[(4-aminophenyl)methyl]-3,4-dimethoxyaniline;N-[4-[(3,4-dichloroanilino)methyl]phenyl]propane-2-sulfonamide;4-[[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]anilino]methyl]aniline;N-[4-[(3-fluoro-4-methoxyanilino)methyl]phenyl]propane-2-sulfonamide;tetrakis(propane-2-sulfinate)
CID 161078904
(2R,6S)-4-[4-(7-tert-butylsulfonylheptyl)phenyl]-2,6-dimethylmorpholine
CID 59546095
1-[4-(tert-butylsulfonylmethyl)phenyl]-2-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]ethanone
CID 58143830
2-[2-chloro-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]ethanamine
CID 114064893
(2R,6R)-4-[(3-fluoro-4-methoxyphenyl)methyl]-2,6-dimethylmorpholine
CID 94825759
1-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-3-(3-fluoro-4-methoxyphenyl)propan-1-one
CID 55617869
[4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]phenyl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 157333598

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-4-chloro-1-methoxybenzene;1-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-2,4-dichlorobenzene;4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-1,2-dichlorobenzene;4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-1,2-dimethoxybenzene;4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-2-fluoro-1-methoxybenzene;(3S,5R)-1-[4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]phenyl]-3,5-dimethylpiperidine;(2R,6S)-4-[4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-2,3,5,6-tetrafluorophenyl]-2,6-dimethylmorpholine?
The IUPAC name of 2-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-4-chloro-1-methoxybenzene;1-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-2,4-dichlorobenzene;4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-1,2-dichlorobenzene;4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-1,2-dimethoxybenzene;4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-2-fluoro-1-methoxybenzene;(3S,5R)-1-[4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]phenyl]-3,5-dimethylpiperidine;(2R,6S)-4-[4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-2,3,5,6-tetrafluorophenyl]-2,6-dimethylmorpholine (CID 159075645) is 2-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-4-chloro-1-methoxybenzene;1-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-2,4-dichlorobenzene;4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-1,2-dichlorobenzene;4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-1,2-dimethoxybenzene;4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-2-fluoro-1-methoxybenzene;(3S,5R)-1-[4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]phenyl]-3,5-dimethylpiperidine;(2R,6S)-4-[4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-2,3,5,6-tetrafluorophenyl]-2,6-dimethylmorpholine.
What is the SMILES notation for 2-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-4-chloro-1-methoxybenzene;1-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-2,4-dichlorobenzene;4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-1,2-dichlorobenzene;4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-1,2-dimethoxybenzene;4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-2-fluoro-1-methoxybenzene;(3S,5R)-1-[4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]phenyl]-3,5-dimethylpiperidine;(2R,6S)-4-[4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-2,3,5,6-tetrafluorophenyl]-2,6-dimethylmorpholine?
The canonical SMILES for 2-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-4-chloro-1-methoxybenzene;1-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-2,4-dichlorobenzene;4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-1,2-dichlorobenzene;4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-1,2-dimethoxybenzene;4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-2-fluoro-1-methoxybenzene;(3S,5R)-1-[4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]phenyl]-3,5-dimethylpiperidine;(2R,6S)-4-[4-[2-[4-(tert-butylsulfonylmethyl)phenyl]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)cc1F.COc1ccc(CCc2ccc(CS(=O)(=O)C(C)(C)C)cc2)cc1OC.COc1ccc(Cl)cc1CCc1ccc(CS(=O)(=O)C(C)(C)C)cc1.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]1C[C@H](C)CN(c2ccc(CCc3ccc(CS(=O)(=O)C(C)(C)C)cc3)cc2)C1.
What is the InChIKey of 2-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-4-chloro-1-methoxybenzene;1-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-2,4-dichlorobenzene;4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-1,2-dichlorobenzene;4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-1,2-dimethoxybenzene;4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-2-fluoro-1-methoxybenzene;(3S,5R)-1-[4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]phenyl]-3,5-dimethylpiperidine;(2R,6S)-4-[4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-2,3,5,6-tetrafluorophenyl]-2,6-dimethylmorpholine?
The InChIKey is KAFDLYILTFIRQU-QWCKIRJDSA-N. The full InChI is InChI=1S/C26H37NO2S.C25H31F4NO3S.C21H28O4S.C20H25ClO3S.C20H25FO3S.2C19H22Cl2O2S/c1-20-16-21(2)18-27(17-20)25-14-12-23(13-15-25)7-6-22-8-10-24(11-9-22)19-30(28,29)26(3,4)5;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;1-21(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;1-20(2,3)25(22,23)14-16-7-5-15(6-8-16)9-10-17-13-18(21)11-12-19(17)24-4;1-20(2,3)25(22,23)14-17-9-6-15(7-10-17)5-8-16-11-12-19(24-4)18(21)13-16;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/h8-15,20-21H,6-7,16-19H2,1-5H3;6-9,15-16H,10-14H2,1-5H3;7-8,10-14H,6,9,15H2,1-5H3;5-8,11-13H,9-10,14H2,1-4H3;6-7,9-13H,5,8,14H2,1-4H3;5-6,8-12H,4,7,13H2,1-3H3;4-7,10-12H,8-9,13H2,1-3H3/t20-,21+;15-,16+;;;;;.
What are the key properties of 2-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-4-chloro-1-methoxybenzene;1-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-2,4-dichlorobenzene;4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-1,2-dichlorobenzene;4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-1,2-dimethoxybenzene;4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-2-fluoro-1-methoxybenzene;(3S,5R)-1-[4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]phenyl]-3,5-dimethylpiperidine;(2R,6S)-4-[4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-2,3,5,6-tetrafluorophenyl]-2,6-dimethylmorpholine?
2-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-4-chloro-1-methoxybenzene;1-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-2,4-dichlorobenzene;4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-1,2-dichlorobenzene;4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-1,2-dimethoxybenzene;4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-2-fluoro-1-methoxybenzene;(3S,5R)-1-[4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]phenyl]-3,5-dimethylpiperidine;(2R,6S)-4-[4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-2,3,5,6-tetrafluorophenyl]-2,6-dimethylmorpholine has a molecular weight of 2821.89 g/mol, XLogP of 35.39, 41 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-4-chloro-1-methoxybenzene;1-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-2,4-dichlorobenzene;4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-1,2-dichlorobenzene;4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-1,2-dimethoxybenzene;4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-2-fluoro-1-methoxybenzene;(3S,5R)-1-[4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]phenyl]-3,5-dimethylpiperidine;(2R,6S)-4-[4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-2,3,5,6-tetrafluorophenyl]-2,6-dimethylmorpholine is sourced from PubChem (CID 159075645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).