6-(2-cyclohexylphenoxy)-2,3,4-trifluorobenzenesulfonic acid;4-(2,6-diethyl-4-methylphenyl)sulfanyl-2,3,5,6-tetrafluorobenzenesulfonic acid;4-[2,6-di(propan-2-yl)phenyl]sulfanyl-2,3,5,6-tetrafluorobenzenesulfonic acid;2,3,5,6-tetrafluoro-4-(2,4,6-tritert-butylphenyl)sulfanylbenzenesulfonic acid;2,3,5,6-tetrafluoro-4-(2,4,6-tricyclohexylphenyl)sulfanylbenzenesulfonic acid;2,3,5,6-tetrafluoro-4-[2,4,6-tri(propan-2-yl)phenyl]sulfanylbenzenesulfonic acid

C128H141F23O19S11 — CID 159043033

About 6-(2-cyclohexylphenoxy)-2,3,4-trifluorobenzenesulfonic acid;4-(2,6-diethyl-4-methylphenyl)sulfanyl-2,3,5,6-tetrafluorobenzenesulfonic acid;4-[2,6-di(propan-2-yl)phenyl]sulfanyl-2,3,5,6-tetrafluorobenzenesulfonic acid;2,3,5,6-tetrafluoro-4-(2,4,6-tritert-butylphenyl)sulfanylbenzenesulfonic acid;2,3,5,6-tetrafluoro-4-(2,4,6-tricyclohexylphenyl)sulfanylbenzenesulfonic acid;2,3,5,6-tetrafluoro-4-[2,4,6-tri(propan-2-yl)phenyl]sulfanylbenzenesulfonic acid

6-(2-cyclohexylphenoxy)-2,3,4-trifluorobenzenesulfonic acid;4-(2,6-diethyl-4-methylphenyl)sulfanyl-2,3,5,6-tetrafluorobenzenesulfonic acid;4-[2,6-di(propan-2-yl)phenyl]sulfanyl-2,3,5,6-tetrafluorobenzenesulfonic acid;2,3,5,6-tetrafluoro-4-(2,4,6-tritert-butylphenyl)sulfanylbenzenesulfonic acid;2,3,5,6-tetrafluoro-4-(2,4,6-tricyclohexylphenyl)sulfanylbenzenesulfonic acid;2,3,5,6-tetrafluoro-4-[2,4,6-tri(propan-2-yl)phenyl]sulfanylbenzenesulfonic acid (PubChem CID 159043033) has the molecular formula C128H141F23O19S11 and a molecular weight of 2773.21 g/mol. Its IUPAC name is 6-(2-cyclohexylphenoxy)-2,3,4-trifluorobenzenesulfonic acid;4-(2,6-diethyl-4-methylphenyl)sulfanyl-2,3,5,6-tetrafluorobenzenesulfonic acid;4-[2,6-di(propan-2-yl)phenyl]sulfanyl-2,3,5,6-tetrafluorobenzenesulfonic acid;2,3,5,6-tetrafluoro-4-(2,4,6-tritert-butylphenyl)sulfanylbenzenesulfonic acid;2,3,5,6-tetrafluoro-4-(2,4,6-tricyclohexylphenyl)sulfanylbenzenesulfonic acid;2,3,5,6-tetrafluoro-4-[2,4,6-tri(propan-2-yl)phenyl]sulfanylbenzenesulfonic acid.

Molecular Properties

• Compound Name: 6-(2-cyclohexylphenoxy)-2,3,4-trifluorobenzenesulfonic acid;4-(2,6-diethyl-4-methylphenyl)sulfanyl-2,3,5,6-tetrafluorobenzenesulfonic acid;4-[2,6-di(propan-2-yl)phenyl]sulfanyl-2,3,5,6-tetrafluorobenzenesulfonic acid;2,3,5,6-tetrafluoro-4-(2,4,6-tritert-butylphenyl)sulfanylbenzenesulfonic acid;2,3,5,6-tetrafluoro-4-(2,4,6-tricyclohexylphenyl)sulfanylbenzenesulfonic acid;2,3,5,6-tetrafluoro-4-[2,4,6-tri(propan-2-yl)phenyl]sulfanylbenzenesulfonic acid
• PubChem CID: 159043033
• Molecular Formula: C128H141F23O19S11
• Molecular Weight: 2773.21 g/mol
• Exact Mass: 2770.66
• IUPAC Name: 6-(2-cyclohexylphenoxy)-2,3,4-trifluorobenzenesulfonic acid;4-(2,6-diethyl-4-methylphenyl)sulfanyl-2,3,5,6-tetrafluorobenzenesulfonic acid;4-[2,6-di(propan-2-yl)phenyl]sulfanyl-2,3,5,6-tetrafluorobenzenesulfonic acid;2,3,5,6-tetrafluoro-4-(2,4,6-tritert-butylphenyl)sulfanylbenzenesulfonic acid;2,3,5,6-tetrafluoro-4-(2,4,6-tricyclohexylphenyl)sulfanylbenzenesulfonic acid;2,3,5,6-tetrafluoro-4-[2,4,6-tri(propan-2-yl)phenyl]sulfanylbenzenesulfonic acid
• SMILES: CC(C)(C)c1cc(C(C)(C)C)c(Sc2c(F)c(F)c(S(=O)(=O)O)c(F)c2F)c(C(C)(C)C)c1.CC(C)c1cc(C(C)C)c(Sc2c(F)c(F)c(S(=O)(=O)O)c(F)c2F)c(C(C)C)c1.CC(C)c1cccc(C(C)C)c1Sc1c(F)c(F)c(S(=O)(=O)O)c(F)c1F.CCc1cc(C)cc(CC)c1Sc1c(F)c(F)c(S(=O)(=O)O)c(F)c1F.O=S(=O)(O)c1c(F)c(F)c(Sc2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c(F)c1F.O=S(=O)(O)c1c(Oc2ccccc2C2CCCCC2)cc(F)c(F)c1F
• InChI: InChI=1S/C30H36F4O3S2.C24H30F4O3S2.C21H24F4O3S2.C18H18F4O3S2.C18H17F3O4S.C17H16F4O3S2/c31-24-26(33)30(39(35,36)37)27(34)25(32)29(24)38-28-22(19-12-6-2-7-13-19)16-21(18-10-4-1-5-11-18)17-23(28)20-14-8-3-9-15-20;1-22(2,3)12-10-13(23(4,5)6)19(14(11-12)24(7,8)9)32-20-15(25)17(27)21(33(29,30)31)18(28)16(20)26;1-9(2)12-7-13(10(3)4)19(14(8-12)11(5)6)29-20-15(22)17(24)21(30(26,27)28)18(25)16(20)23;1-8(2)10-6-5-7-11(9(3)4)16(10)26-17-12(19)14(21)18(27(23,24)25)15(22)13(17)20;19-13-10-15(18(26(22,23)24)17(21)16(13)20)25-14-9-5-4-8-12(14)11-6-2-1-3-7-11;1-4-9-6-8(3)7-10(5-2)15(9)25-16-11(18)13(20)17(26(22,23)24)14(21)12(16)19/h16-20H,1-15H2,(H,35,36,37);10-11H,1-9H3,(H,29,30,31);7-11H,1-6H3,(H,26,27,28);5-9H,1-4H3,(H,23,24,25);4-5,8-11H,1-3,6-7H2,(H,22,23,24);6-7H,4-5H2,1-3H3,(H,22,23,24)
• InChIKey: JWHRKXNCJOGQDW-UHFFFAOYSA-N
• XLogP: 40.48
• TPSA: 335.45 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 18
• Rotatable Bonds: 29
• Heavy Atoms: 181
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2773.21
LogP ≤ 5	40.48
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-(2-cyclohexylphenoxy)-2,3,4-trifluorobenzenesulfonic acid;4-(2,6-diethyl-4-methylphenyl)sulfanyl-2,3,5,6-tetrafluorobenzenesulfonic acid;4-[2,6-di(propan-2-yl)phenyl]sulfanyl-2,3,5,6-tetrafluorobenzenesulfonic acid;2,3,5,6-tetrafluoro-4-(2,4,6-tritert-butylphenyl)sulfanylbenzenesulfonic acid;2,3,5,6-tetrafluoro-4-(2,4,6-tricyclohexylphenyl)sulfanylbenzenesulfonic acid;2,3,5,6-tetrafluoro-4-[2,4,6-tri(propan-2-yl)phenyl]sulfanylbenzenesulfonic acid?

The IUPAC name of 6-(2-cyclohexylphenoxy)-2,3,4-trifluorobenzenesulfonic acid;4-(2,6-diethyl-4-methylphenyl)sulfanyl-2,3,5,6-tetrafluorobenzenesulfonic acid;4-[2,6-di(propan-2-yl)phenyl]sulfanyl-2,3,5,6-tetrafluorobenzenesulfonic acid;2,3,5,6-tetrafluoro-4-(2,4,6-tritert-butylphenyl)sulfanylbenzenesulfonic acid;2,3,5,6-tetrafluoro-4-(2,4,6-tricyclohexylphenyl)sulfanylbenzenesulfonic acid;2,3,5,6-tetrafluoro-4-[2,4,6-tri(propan-2-yl)phenyl]sulfanylbenzenesulfonic acid (CID 159043033) is 6-(2-cyclohexylphenoxy)-2,3,4-trifluorobenzenesulfonic acid;4-(2,6-diethyl-4-methylphenyl)sulfanyl-2,3,5,6-tetrafluorobenzenesulfonic acid;4-[2,6-di(propan-2-yl)phenyl]sulfanyl-2,3,5,6-tetrafluorobenzenesulfonic acid;2,3,5,6-tetrafluoro-4-(2,4,6-tritert-butylphenyl)sulfanylbenzenesulfonic acid;2,3,5,6-tetrafluoro-4-(2,4,6-tricyclohexylphenyl)sulfanylbenzenesulfonic acid;2,3,5,6-tetrafluoro-4-[2,4,6-tri(propan-2-yl)phenyl]sulfanylbenzenesulfonic acid.

What is the SMILES notation for 6-(2-cyclohexylphenoxy)-2,3,4-trifluorobenzenesulfonic acid;4-(2,6-diethyl-4-methylphenyl)sulfanyl-2,3,5,6-tetrafluorobenzenesulfonic acid;4-[2,6-di(propan-2-yl)phenyl]sulfanyl-2,3,5,6-tetrafluorobenzenesulfonic acid;2,3,5,6-tetrafluoro-4-(2,4,6-tritert-butylphenyl)sulfanylbenzenesulfonic acid;2,3,5,6-tetrafluoro-4-(2,4,6-tricyclohexylphenyl)sulfanylbenzenesulfonic acid;2,3,5,6-tetrafluoro-4-[2,4,6-tri(propan-2-yl)phenyl]sulfanylbenzenesulfonic acid?

The canonical SMILES for 6-(2-cyclohexylphenoxy)-2,3,4-trifluorobenzenesulfonic acid;4-(2,6-diethyl-4-methylphenyl)sulfanyl-2,3,5,6-tetrafluorobenzenesulfonic acid;4-[2,6-di(propan-2-yl)phenyl]sulfanyl-2,3,5,6-tetrafluorobenzenesulfonic acid;2,3,5,6-tetrafluoro-4-(2,4,6-tritert-butylphenyl)sulfanylbenzenesulfonic acid;2,3,5,6-tetrafluoro-4-(2,4,6-tricyclohexylphenyl)sulfanylbenzenesulfonic acid;2,3,5,6-tetrafluoro-4-[2,4,6-tri(propan-2-yl)phenyl]sulfanylbenzenesulfonic acid is CC(C)(C)c1cc(C(C)(C)C)c(Sc2c(F)c(F)c(S(=O)(=O)O)c(F)c2F)c(C(C)(C)C)c1.CC(C)c1cc(C(C)C)c(Sc2c(F)c(F)c(S(=O)(=O)O)c(F)c2F)c(C(C)C)c1.CC(C)c1cccc(C(C)C)c1Sc1c(F)c(F)c(S(=O)(=O)O)c(F)c1F.CCc1cc(C)cc(CC)c1Sc1c(F)c(F)c(S(=O)(=O)O)c(F)c1F.O=S(=O)(O)c1c(F)c(F)c(Sc2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c(F)c1F.O=S(=O)(O)c1c(Oc2ccccc2C2CCCCC2)cc(F)c(F)c1F.

What is the InChIKey of 6-(2-cyclohexylphenoxy)-2,3,4-trifluorobenzenesulfonic acid;4-(2,6-diethyl-4-methylphenyl)sulfanyl-2,3,5,6-tetrafluorobenzenesulfonic acid;4-[2,6-di(propan-2-yl)phenyl]sulfanyl-2,3,5,6-tetrafluorobenzenesulfonic acid;2,3,5,6-tetrafluoro-4-(2,4,6-tritert-butylphenyl)sulfanylbenzenesulfonic acid;2,3,5,6-tetrafluoro-4-(2,4,6-tricyclohexylphenyl)sulfanylbenzenesulfonic acid;2,3,5,6-tetrafluoro-4-[2,4,6-tri(propan-2-yl)phenyl]sulfanylbenzenesulfonic acid?

The InChIKey is JWHRKXNCJOGQDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36F4O3S2.C24H30F4O3S2.C21H24F4O3S2.C18H18F4O3S2.C18H17F3O4S.C17H16F4O3S2/c31-24-26(33)30(39(35,36)37)27(34)25(32)29(24)38-28-22(19-12-6-2-7-13-19)16-21(18-10-4-1-5-11-18)17-23(28)20-14-8-3-9-15-20;1-22(2,3)12-10-13(23(4,5)6)19(14(11-12)24(7,8)9)32-20-15(25)17(27)21(33(29,30)31)18(28)16(20)26;1-9(2)12-7-13(10(3)4)19(14(8-12)11(5)6)29-20-15(22)17(24)21(30(26,27)28)18(25)16(20)23;1-8(2)10-6-5-7-11(9(3)4)16(10)26-17-12(19)14(21)18(27(23,24)25)15(22)13(17)20;19-13-10-15(18(26(22,23)24)17(21)16(13)20)25-14-9-5-4-8-12(14)11-6-2-1-3-7-11;1-4-9-6-8(3)7-10(5-2)15(9)25-16-11(18)13(20)17(26(22,23)24)14(21)12(16)19/h16-20H,1-15H2,(H,35,36,37);10-11H,1-9H3,(H,29,30,31);7-11H,1-6H3,(H,26,27,28);5-9H,1-4H3,(H,23,24,25);4-5,8-11H,1-3,6-7H2,(H,22,23,24);6-7H,4-5H2,1-3H3,(H,22,23,24).

What are the key properties of 6-(2-cyclohexylphenoxy)-2,3,4-trifluorobenzenesulfonic acid;4-(2,6-diethyl-4-methylphenyl)sulfanyl-2,3,5,6-tetrafluorobenzenesulfonic acid;4-[2,6-di(propan-2-yl)phenyl]sulfanyl-2,3,5,6-tetrafluorobenzenesulfonic acid;2,3,5,6-tetrafluoro-4-(2,4,6-tritert-butylphenyl)sulfanylbenzenesulfonic acid;2,3,5,6-tetrafluoro-4-(2,4,6-tricyclohexylphenyl)sulfanylbenzenesulfonic acid;2,3,5,6-tetrafluoro-4-[2,4,6-tri(propan-2-yl)phenyl]sulfanylbenzenesulfonic acid?

6-(2-cyclohexylphenoxy)-2,3,4-trifluorobenzenesulfonic acid;4-(2,6-diethyl-4-methylphenyl)sulfanyl-2,3,5,6-tetrafluorobenzenesulfonic acid;4-[2,6-di(propan-2-yl)phenyl]sulfanyl-2,3,5,6-tetrafluorobenzenesulfonic acid;2,3,5,6-tetrafluoro-4-(2,4,6-tritert-butylphenyl)sulfanylbenzenesulfonic acid;2,3,5,6-tetrafluoro-4-(2,4,6-tricyclohexylphenyl)sulfanylbenzenesulfonic acid;2,3,5,6-tetrafluoro-4-[2,4,6-tri(propan-2-yl)phenyl]sulfanylbenzenesulfonic acid has a molecular weight of 2773.21 g/mol, XLogP of 40.48, 29 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2-cyclohexylphenoxy)-2,3,4-trifluorobenzenesulfonic acid;4-(2,6-diethyl-4-methylphenyl)sulfanyl-2,3,5,6-tetrafluorobenzenesulfonic acid;4-[2,6-di(propan-2-yl)phenyl]sulfanyl-2,3,5,6-tetrafluorobenzenesulfonic acid;2,3,5,6-tetrafluoro-4-(2,4,6-tritert-butylphenyl)sulfanylbenzenesulfonic acid;2,3,5,6-tetrafluoro-4-(2,4,6-tricyclohexylphenyl)sulfanylbenzenesulfonic acid;2,3,5,6-tetrafluoro-4-[2,4,6-tri(propan-2-yl)phenyl]sulfanylbenzenesulfonic acid is sourced from PubChem (CID 159043033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).