4-[4-(7-tert-butylsulfonylheptyl)phenoxy]oxane;2-(7-tert-butylsulfonylheptyl)-5-(trifluoromethyl)pyridine;1-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-4-[(2-methylpropan-2-yl)oxy]benzene;2-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-5-methylpyridine;4-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenoxy]oxane;2-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]pyridine

C123H198F3N3O17S6 — CID 162000672

IUPAC4-[4-(7-tert-butylsulfonylheptyl)phenoxy]oxane;2-(7-tert-butylsulfonylheptyl)-5-(trifluoromethyl)pyridine;1-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-4-[(2-methylpropan-2-yl)oxy]benzene;2-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-5-methylpyridine;4-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenoxy]oxane;2-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]pyridine
SMILESCC(C)(C)Oc1ccc(CCC2CCC(CS(=O)(=O)C(C)(C)C)CC2)cc1.CC(C)(C)S(=O)(=O)CC1CCC(CCc2ccc(OC3CCOCC3)cc2)CC1.CC(C)(C)S(=O)(=O)CC1CCC(CCc2ccccn2)CC1.CC(C)(C)S(=O)(=O)CCCCCCCc1ccc(C(F)(F)F)cn1.CC(C)(C)S(=O)(=O)CCCCCCCc1ccc(OC2CCOCC2)cc1.Cc1ccc(CCC2CCC(CS(=O)(=O)C(C)(C)C)CC2)nc1
InChIInChI=1S/C24H38O4S.C23H38O3S.C22H36O4S.C19H31NO2S.C18H29NO2S.C17H26F3NO2S/c1-24(2,3)29(25,26)18-21-8-6-19(7-9-21)4-5-20-10-12-22(13-11-20)28-23-14-16-27-17-15-23;1-22(2,3)26-21-15-13-19(14-16-21)8-7-18-9-11-20(12-10-18)17-27(24,25)23(4,5)6;1-22(2,3)27(23,24)18-8-6-4-5-7-9-19-10-12-20(13-11-19)26-21-14-16-25-17-15-21;1-15-5-11-18(20-13-15)12-10-16-6-8-17(9-7-16)14-23(21,22)19(2,3)4;1-18(2,3)22(20,21)14-16-9-7-15(8-10-16)11-12-17-6-4-5-13-19-17;1-16(2,3)24(22,23)12-8-6-4-5-7-9-15-11-10-14(13-21-15)17(18,19)20/h10-13,19,21,23H,4-9,14-18H2,1-3H3;13-16,18,20H,7-12,17H2,1-6H3;10-13,21H,4-9,14-18H2,1-3H3;5,11,13,16-17H,6-10,12,14H2,1-4H3;4-6,13,15-16H,7-12,14H2,1-3H3;10-11,13H,4-9,12H2,1-3H3
InChIKeyYSDYXYSDKBZWRD-UHFFFAOYSA-N
MW2240.34 g/mol
LogP29.15
Rot. Bonds41

About 4-[4-(7-tert-butylsulfonylheptyl)phenoxy]oxane;2-(7-tert-butylsulfonylheptyl)-5-(trifluoromethyl)pyridine;1-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-4-[(2-methylpropan-2-yl)oxy]benzene;2-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-5-methylpyridine;4-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenoxy]oxane;2-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]pyridine

4-[4-(7-tert-butylsulfonylheptyl)phenoxy]oxane;2-(7-tert-butylsulfonylheptyl)-5-(trifluoromethyl)pyridine;1-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-4-[(2-methylpropan-2-yl)oxy]benzene;2-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-5-methylpyridine;4-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenoxy]oxane;2-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]pyridine (PubChem CID 162000672) has the molecular formula C123H198F3N3O17S6 and a molecular weight of 2240.34 g/mol. Its IUPAC name is 4-[4-(7-tert-butylsulfonylheptyl)phenoxy]oxane;2-(7-tert-butylsulfonylheptyl)-5-(trifluoromethyl)pyridine;1-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-4-[(2-methylpropan-2-yl)oxy]benzene;2-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-5-methylpyridine;4-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenoxy]oxane;2-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]pyridine.

Molecular Properties

Compound Name4-[4-(7-tert-butylsulfonylheptyl)phenoxy]oxane;2-(7-tert-butylsulfonylheptyl)-5-(trifluoromethyl)pyridine;1-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-4-[(2-methylpropan-2-yl)oxy]benzene;2-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-5-methylpyridine;4-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenoxy]oxane;2-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]pyridine
PubChem CID162000672
Molecular FormulaC123H198F3N3O17S6
Molecular Weight2240.34 g/mol
Exact Mass2238.30
IUPAC Name4-[4-(7-tert-butylsulfonylheptyl)phenoxy]oxane;2-(7-tert-butylsulfonylheptyl)-5-(trifluoromethyl)pyridine;1-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-4-[(2-methylpropan-2-yl)oxy]benzene;2-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-5-methylpyridine;4-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenoxy]oxane;2-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]pyridine
SMILESCC(C)(C)Oc1ccc(CCC2CCC(CS(=O)(=O)C(C)(C)C)CC2)cc1.CC(C)(C)S(=O)(=O)CC1CCC(CCc2ccc(OC3CCOCC3)cc2)CC1.CC(C)(C)S(=O)(=O)CC1CCC(CCc2ccccn2)CC1.CC(C)(C)S(=O)(=O)CCCCCCCc1ccc(C(F)(F)F)cn1.CC(C)(C)S(=O)(=O)CCCCCCCc1ccc(OC2CCOCC2)cc1.Cc1ccc(CCC2CCC(CS(=O)(=O)C(C)(C)C)CC2)nc1
InChIInChI=1S/C24H38O4S.C23H38O3S.C22H36O4S.C19H31NO2S.C18H29NO2S.C17H26F3NO2S/c1-24(2,3)29(25,26)18-21-8-6-19(7-9-21)4-5-20-10-12-22(13-11-20)28-23-14-16-27-17-15-23;1-22(2,3)26-21-15-13-19(14-16-21)8-7-18-9-11-20(12-10-18)17-27(24,25)23(4,5)6;1-22(2,3)27(23,24)18-8-6-4-5-7-9-19-10-12-20(13-11-19)26-21-14-16-25-17-15-21;1-15-5-11-18(20-13-15)12-10-16-6-8-17(9-7-16)14-23(21,22)19(2,3)4;1-18(2,3)22(20,21)14-16-9-7-15(8-10-16)11-12-17-6-4-5-13-19-17;1-16(2,3)24(22,23)12-8-6-4-5-7-9-15-11-10-14(13-21-15)17(18,19)20/h10-13,19,21,23H,4-9,14-18H2,1-3H3;13-16,18,20H,7-12,17H2,1-6H3;10-13,21H,4-9,14-18H2,1-3H3;5,11,13,16-17H,6-10,12,14H2,1-4H3;4-6,13,15-16H,7-12,14H2,1-3H3;10-11,13H,4-9,12H2,1-3H3
InChIKeyYSDYXYSDKBZWRD-UHFFFAOYSA-N
XLogP29.15
TPSA289.66 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds41
Heavy Atoms152
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002240.34
LogP ≤ 529.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze 4-[4-(7-tert-butylsulfonylheptyl)phenoxy]oxane;2-(7-tert-butylsulfonylheptyl)-5-(trifluoromethyl)pyridine;1-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-4-[(2-methylpropan-2-yl)oxy]benzene;2-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-5-methylpyridine;4-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenoxy]oxane;2-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(7-tert-butylsulfonylheptyl)phenoxy]oxane;2-(7-tert-butylsulfonylheptyl)-5-(trifluoromethyl)pyridine;1-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-4-[(2-methylpropan-2-yl)oxy]benzene;2-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-5-methylpyridine;4-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenoxy]oxane;2-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]pyridine?
The IUPAC name of 4-[4-(7-tert-butylsulfonylheptyl)phenoxy]oxane;2-(7-tert-butylsulfonylheptyl)-5-(trifluoromethyl)pyridine;1-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-4-[(2-methylpropan-2-yl)oxy]benzene;2-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-5-methylpyridine;4-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenoxy]oxane;2-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]pyridine (CID 162000672) is 4-[4-(7-tert-butylsulfonylheptyl)phenoxy]oxane;2-(7-tert-butylsulfonylheptyl)-5-(trifluoromethyl)pyridine;1-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-4-[(2-methylpropan-2-yl)oxy]benzene;2-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-5-methylpyridine;4-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenoxy]oxane;2-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]pyridine.
What is the SMILES notation for 4-[4-(7-tert-butylsulfonylheptyl)phenoxy]oxane;2-(7-tert-butylsulfonylheptyl)-5-(trifluoromethyl)pyridine;1-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-4-[(2-methylpropan-2-yl)oxy]benzene;2-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-5-methylpyridine;4-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenoxy]oxane;2-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]pyridine?
The canonical SMILES for 4-[4-(7-tert-butylsulfonylheptyl)phenoxy]oxane;2-(7-tert-butylsulfonylheptyl)-5-(trifluoromethyl)pyridine;1-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-4-[(2-methylpropan-2-yl)oxy]benzene;2-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-5-methylpyridine;4-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenoxy]oxane;2-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]pyridine is CC(C)(C)Oc1ccc(CCC2CCC(CS(=O)(=O)C(C)(C)C)CC2)cc1.CC(C)(C)S(=O)(=O)CC1CCC(CCc2ccc(OC3CCOCC3)cc2)CC1.CC(C)(C)S(=O)(=O)CC1CCC(CCc2ccccn2)CC1.CC(C)(C)S(=O)(=O)CCCCCCCc1ccc(C(F)(F)F)cn1.CC(C)(C)S(=O)(=O)CCCCCCCc1ccc(OC2CCOCC2)cc1.Cc1ccc(CCC2CCC(CS(=O)(=O)C(C)(C)C)CC2)nc1.
What is the InChIKey of 4-[4-(7-tert-butylsulfonylheptyl)phenoxy]oxane;2-(7-tert-butylsulfonylheptyl)-5-(trifluoromethyl)pyridine;1-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-4-[(2-methylpropan-2-yl)oxy]benzene;2-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-5-methylpyridine;4-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenoxy]oxane;2-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]pyridine?
The InChIKey is YSDYXYSDKBZWRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38O4S.C23H38O3S.C22H36O4S.C19H31NO2S.C18H29NO2S.C17H26F3NO2S/c1-24(2,3)29(25,26)18-21-8-6-19(7-9-21)4-5-20-10-12-22(13-11-20)28-23-14-16-27-17-15-23;1-22(2,3)26-21-15-13-19(14-16-21)8-7-18-9-11-20(12-10-18)17-27(24,25)23(4,5)6;1-22(2,3)27(23,24)18-8-6-4-5-7-9-19-10-12-20(13-11-19)26-21-14-16-25-17-15-21;1-15-5-11-18(20-13-15)12-10-16-6-8-17(9-7-16)14-23(21,22)19(2,3)4;1-18(2,3)22(20,21)14-16-9-7-15(8-10-16)11-12-17-6-4-5-13-19-17;1-16(2,3)24(22,23)12-8-6-4-5-7-9-15-11-10-14(13-21-15)17(18,19)20/h10-13,19,21,23H,4-9,14-18H2,1-3H3;13-16,18,20H,7-12,17H2,1-6H3;10-13,21H,4-9,14-18H2,1-3H3;5,11,13,16-17H,6-10,12,14H2,1-4H3;4-6,13,15-16H,7-12,14H2,1-3H3;10-11,13H,4-9,12H2,1-3H3.
What are the key properties of 4-[4-(7-tert-butylsulfonylheptyl)phenoxy]oxane;2-(7-tert-butylsulfonylheptyl)-5-(trifluoromethyl)pyridine;1-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-4-[(2-methylpropan-2-yl)oxy]benzene;2-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-5-methylpyridine;4-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenoxy]oxane;2-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]pyridine?
4-[4-(7-tert-butylsulfonylheptyl)phenoxy]oxane;2-(7-tert-butylsulfonylheptyl)-5-(trifluoromethyl)pyridine;1-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-4-[(2-methylpropan-2-yl)oxy]benzene;2-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-5-methylpyridine;4-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenoxy]oxane;2-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]pyridine has a molecular weight of 2240.34 g/mol, XLogP of 29.15, 41 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(7-tert-butylsulfonylheptyl)phenoxy]oxane;2-(7-tert-butylsulfonylheptyl)-5-(trifluoromethyl)pyridine;1-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-4-[(2-methylpropan-2-yl)oxy]benzene;2-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-5-methylpyridine;4-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenoxy]oxane;2-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]pyridine is sourced from PubChem (CID 162000672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).