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

C158H253Cl5F7N3O22S8 — CID 159702487

IUPAC2-(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
SMILESCC(C)(C)S(=O)(=O)CCCCCCCc1ccc(Cl)c(Cl)c1.CC(C)(C)S(=O)(=O)CCCCCCCc1ccc(Cl)cc1Cl.COc1ccc(CCCCCCCS(=O)(=O)C(C)(C)C)cc1F.COc1ccc(CCCCCCCS(=O)(=O)C(C)(C)C)cc1OC.COc1ccc(Cl)cc1CCCCCCCS(=O)(=O)C(C)(C)C.C[C@@H]1CN(c2c(F)c(F)c(CCCCCCCS(=O)(=O)C(C)(C)C)c(F)c2F)C[C@H](C)O1.C[C@@H]1CN(c2ccc(CCCCCCCS(=O)(=O)C(C)(C)C)c(F)c2F)CCO1.C[C@@H]1C[C@H](C)CN(c2ccc(CCCCCCCS(=O)(=O)C(C)(C)C)cc2)C1
InChIInChI=1S/C24H41NO2S.C23H35F4NO3S.C22H35F2NO3S.C19H32O4S.C18H29ClO3S.C18H29FO3S.2C17H26Cl2O2S/c1-20-17-21(2)19-25(18-20)23-14-12-22(13-15-23)11-9-7-6-8-10-16-28(26,27)24(3,4)5;1-15-13-28(14-16(2)31-15)22-20(26)18(24)17(19(25)21(22)27)11-9-7-6-8-10-12-32(29,30)23(3,4)5;1-17-16-25(13-14-28-17)19-12-11-18(20(23)21(19)24)10-8-6-5-7-9-15-29(26,27)22(2,3)4;1-19(2,3)24(20,21)14-10-8-6-7-9-11-16-12-13-17(22-4)18(15-16)23-5;1-18(2,3)23(20,21)13-9-7-5-6-8-10-15-14-16(19)11-12-17(15)22-4;1-18(2,3)23(20,21)13-9-7-5-6-8-10-15-11-12-17(22-4)16(19)14-15;1-17(2,3)22(20,21)12-8-6-4-5-7-9-14-10-11-15(18)13-16(14)19;1-17(2,3)22(20,21)12-8-6-4-5-7-9-14-10-11-15(18)16(19)13-14/h12-15,20-21H,6-11,16-19H2,1-5H3;15-16H,6-14H2,1-5H3;11-12,17H,5-10,13-16H2,1-4H3;12-13,15H,6-11,14H2,1-5H3;2*11-12,14H,5-10,13H2,1-4H3;2*10-11,13H,4-9,12H2,1-3H3/t20-,21+;15-,16+;17-;;;;;/m..1...../s1
InChIKeyMXUKSGMISDADAX-ICSOUBALSA-N
MW3113.55 g/mol
LogP41.74
Rot. Bonds71

About 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

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 (PubChem CID 159702487) has the molecular formula C158H253Cl5F7N3O22S8 and a molecular weight of 3113.55 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(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
PubChem CID159702487
Molecular FormulaC158H253Cl5F7N3O22S8
Molecular Weight3113.55 g/mol
Exact Mass3108.49
IUPAC Name2-(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
SMILESCC(C)(C)S(=O)(=O)CCCCCCCc1ccc(Cl)c(Cl)c1.CC(C)(C)S(=O)(=O)CCCCCCCc1ccc(Cl)cc1Cl.COc1ccc(CCCCCCCS(=O)(=O)C(C)(C)C)cc1F.COc1ccc(CCCCCCCS(=O)(=O)C(C)(C)C)cc1OC.COc1ccc(Cl)cc1CCCCCCCS(=O)(=O)C(C)(C)C.C[C@@H]1CN(c2c(F)c(F)c(CCCCCCCS(=O)(=O)C(C)(C)C)c(F)c2F)C[C@H](C)O1.C[C@@H]1CN(c2ccc(CCCCCCCS(=O)(=O)C(C)(C)C)c(F)c2F)CCO1.C[C@@H]1C[C@H](C)CN(c2ccc(CCCCCCCS(=O)(=O)C(C)(C)C)cc2)C1
InChIInChI=1S/C24H41NO2S.C23H35F4NO3S.C22H35F2NO3S.C19H32O4S.C18H29ClO3S.C18H29FO3S.2C17H26Cl2O2S/c1-20-17-21(2)19-25(18-20)23-14-12-22(13-15-23)11-9-7-6-8-10-16-28(26,27)24(3,4)5;1-15-13-28(14-16(2)31-15)22-20(26)18(24)17(19(25)21(22)27)11-9-7-6-8-10-12-32(29,30)23(3,4)5;1-17-16-25(13-14-28-17)19-12-11-18(20(23)21(19)24)10-8-6-5-7-9-15-29(26,27)22(2,3)4;1-19(2,3)24(20,21)14-10-8-6-7-9-11-16-12-13-17(22-4)18(15-16)23-5;1-18(2,3)23(20,21)13-9-7-5-6-8-10-15-14-16(19)11-12-17(15)22-4;1-18(2,3)23(20,21)13-9-7-5-6-8-10-15-11-12-17(22-4)16(19)14-15;1-17(2,3)22(20,21)12-8-6-4-5-7-9-14-10-11-15(18)13-16(14)19;1-17(2,3)22(20,21)12-8-6-4-5-7-9-14-10-11-15(18)16(19)13-14/h12-15,20-21H,6-11,16-19H2,1-5H3;15-16H,6-14H2,1-5H3;11-12,17H,5-10,13-16H2,1-4H3;12-13,15H,6-11,14H2,1-5H3;2*11-12,14H,5-10,13H2,1-4H3;2*10-11,13H,4-9,12H2,1-3H3/t20-,21+;15-,16+;17-;;;;;/m..1...../s1
InChIKeyMXUKSGMISDADAX-ICSOUBALSA-N
XLogP41.74
TPSA338.22 Ų
H-Bond Donors
H-Bond Acceptors25
Rotatable Bonds71
Heavy Atoms203
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003113.55
LogP ≤ 541.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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
(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
(2R,6S)-4-[4-(7-tert-butylsulfonylheptyl)phenyl]-2,6-dimethylmorpholine
CID 59546095
4-(7-tert-butylsulfonylheptyl)-2-fluoro-1-methoxybenzene
CID 59546163
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
(2S,6R)-4-[4-(7-tert-butylsulfonylheptyl)-2-methylphenyl]-2,6-dimethylmorpholine
CID 59546175
(2S,6R)-4-[4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-2-chlorophenyl]-2,6-dimethylmorpholine
CID 161404706
4-(7-tert-butylsulfonylheptyl)-1,2-dichlorobenzene
CID 159702488
(2S,6R)-2,6-dimethyl-4-[4-(7-propan-2-ylsulfonylheptyl)phenyl]morpholine
CID 59546337
(2R,6S)-4-[4-(7-tert-butylsulfonylheptyl)-2,6-difluorophenyl]-2,6-dimethylmorpholine;4-(7-tert-butylsulfonylheptyl)-N-(2-ethoxyethyl)-N-(2-methoxyethyl)aniline;4-[4-(7-tert-butylsulfonylheptyl)phenyl]-2,2-diethylmorpholine;2-[4-(7-tert-butylsulfonylheptyl)phenyl]-6-methyl-1,3-benzothiazole;(2R)-4-[4-(7-tert-butylsulfonylheptyl)phenyl]-2-propan-2-ylmorpholine
CID 160595952
(2R,6S)-4-[3-fluoro-4-(7-propan-2-ylsulfonylheptyl)phenyl]-2,6-dimethylmorpholine
CID 59546142
N-[3-chloro-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(2,4-dichlorophenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(3,4-dichlorophenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(3,4-dimethoxyphenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2,3-difluorophenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-fluorophenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylphenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2,3,5,6-tetrafluorophenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-(2,3,4-trifluorophenyl)cyclohexane-1-carboxamide;trans-(1R,4R)-N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-fluorophenyl]-3-methyl-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide
CID 161155730

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)S(=O)(=O)CCCCCCCc1ccc(Cl)c(Cl)c1.CC(C)(C)S(=O)(=O)CCCCCCCc1ccc(Cl)cc1Cl.COc1ccc(CCCCCCCS(=O)(=O)C(C)(C)C)cc1F.COc1ccc(CCCCCCCS(=O)(=O)C(C)(C)C)cc1OC.COc1ccc(Cl)cc1CCCCCCCS(=O)(=O)C(C)(C)C.C[C@@H]1CN(c2c(F)c(F)c(CCCCCCCS(=O)(=O)C(C)(C)C)c(F)c2F)C[C@H](C)O1.C[C@@H]1CN(c2ccc(CCCCCCCS(=O)(=O)C(C)(C)C)c(F)c2F)CCO1.C[C@@H]1C[C@H](C)CN(c2ccc(CCCCCCCS(=O)(=O)C(C)(C)C)cc2)C1.
What is the InChIKey of 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?
The InChIKey is MXUKSGMISDADAX-ICSOUBALSA-N. The full InChI is InChI=1S/C24H41NO2S.C23H35F4NO3S.C22H35F2NO3S.C19H32O4S.C18H29ClO3S.C18H29FO3S.2C17H26Cl2O2S/c1-20-17-21(2)19-25(18-20)23-14-12-22(13-15-23)11-9-7-6-8-10-16-28(26,27)24(3,4)5;1-15-13-28(14-16(2)31-15)22-20(26)18(24)17(19(25)21(22)27)11-9-7-6-8-10-12-32(29,30)23(3,4)5;1-17-16-25(13-14-28-17)19-12-11-18(20(23)21(19)24)10-8-6-5-7-9-15-29(26,27)22(2,3)4;1-19(2,3)24(20,21)14-10-8-6-7-9-11-16-12-13-17(22-4)18(15-16)23-5;1-18(2,3)23(20,21)13-9-7-5-6-8-10-15-14-16(19)11-12-17(15)22-4;1-18(2,3)23(20,21)13-9-7-5-6-8-10-15-11-12-17(22-4)16(19)14-15;1-17(2,3)22(20,21)12-8-6-4-5-7-9-14-10-11-15(18)13-16(14)19;1-17(2,3)22(20,21)12-8-6-4-5-7-9-14-10-11-15(18)16(19)13-14/h12-15,20-21H,6-11,16-19H2,1-5H3;15-16H,6-14H2,1-5H3;11-12,17H,5-10,13-16H2,1-4H3;12-13,15H,6-11,14H2,1-5H3;2*11-12,14H,5-10,13H2,1-4H3;2*10-11,13H,4-9,12H2,1-3H3/t20-,21+;15-,16+;17-;;;;;/m..1...../s1.
What are the key properties of 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?
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 has a molecular weight of 3113.55 g/mol, XLogP of 41.74, 71 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159702487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).