2-(3-dibenzothiophen-5-ium-5-ylphenoxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;3-(4-dibenzothiophen-5-ium-5-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;2-[3-[ethyl-(1-methylindol-3-yl)sulfonio]phenoxy]-1,1,3,3,3-pentafluoropropane-1-sulfonate;1,1,2,2,3,3-hexafluoro-3-[2-[(1-methylindol-3-yl)-phenylsulfonio]phenoxy]sulfonylpropane-1-sulfonate;1,1,2,2,3,3-hexafluoro-3-[3-[naphthalen-1-yl(phenyl)sulfonio]phenoxy]sulfonylpropane-1-sulfonate;1,1,2,2,3,3-hexafluoro-3-(3-thianthren-5-ium-5-ylphenoxy)sulfonylpropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-(3-phenoxathiin-10-ium-10-ylphenoxy)propane-1-sulfonate

C153H101F39N2O37S19 — CID 159891498

About 2-(3-dibenzothiophen-5-ium-5-ylphenoxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;3-(4-dibenzothiophen-5-ium-5-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;2-[3-[ethyl-(1-methylindol-3-yl)sulfonio]phenoxy]-1,1,3,3,3-pentafluoropropane-1-sulfonate;1,1,2,2,3,3-hexafluoro-3-[2-[(1-methylindol-3-yl)-phenylsulfonio]phenoxy]sulfonylpropane-1-sulfonate;1,1,2,2,3,3-hexafluoro-3-[3-[naphthalen-1-yl(phenyl)sulfonio]phenoxy]sulfonylpropane-1-sulfonate;1,1,2,2,3,3-hexafluoro-3-(3-thianthren-5-ium-5-ylphenoxy)sulfonylpropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-(3-phenoxathiin-10-ium-10-ylphenoxy)propane-1-sulfonate

2-(3-dibenzothiophen-5-ium-5-ylphenoxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;3-(4-dibenzothiophen-5-ium-5-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;2-[3-[ethyl-(1-methylindol-3-yl)sulfonio]phenoxy]-1,1,3,3,3-pentafluoropropane-1-sulfonate;1,1,2,2,3,3-hexafluoro-3-[2-[(1-methylindol-3-yl)-phenylsulfonio]phenoxy]sulfonylpropane-1-sulfonate;1,1,2,2,3,3-hexafluoro-3-[3-[naphthalen-1-yl(phenyl)sulfonio]phenoxy]sulfonylpropane-1-sulfonate;1,1,2,2,3,3-hexafluoro-3-(3-thianthren-5-ium-5-ylphenoxy)sulfonylpropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-(3-phenoxathiin-10-ium-10-ylphenoxy)propane-1-sulfonate (PubChem CID 159891498) has the molecular formula C153H101F39N2O37S19 and a molecular weight of 3909.66 g/mol. Its IUPAC name is 2-(3-dibenzothiophen-5-ium-5-ylphenoxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;3-(4-dibenzothiophen-5-ium-5-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;2-[3-[ethyl-(1-methylindol-3-yl)sulfonio]phenoxy]-1,1,3,3,3-pentafluoropropane-1-sulfonate;1,1,2,2,3,3-hexafluoro-3-[2-[(1-methylindol-3-yl)-phenylsulfonio]phenoxy]sulfonylpropane-1-sulfonate;1,1,2,2,3,3-hexafluoro-3-[3-[naphthalen-1-yl(phenyl)sulfonio]phenoxy]sulfonylpropane-1-sulfonate;1,1,2,2,3,3-hexafluoro-3-(3-thianthren-5-ium-5-ylphenoxy)sulfonylpropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-(3-phenoxathiin-10-ium-10-ylphenoxy)propane-1-sulfonate.

Molecular Properties

• Compound Name: 2-(3-dibenzothiophen-5-ium-5-ylphenoxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;3-(4-dibenzothiophen-5-ium-5-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;2-[3-[ethyl-(1-methylindol-3-yl)sulfonio]phenoxy]-1,1,3,3,3-pentafluoropropane-1-sulfonate;1,1,2,2,3,3-hexafluoro-3-[2-[(1-methylindol-3-yl)-phenylsulfonio]phenoxy]sulfonylpropane-1-sulfonate;1,1,2,2,3,3-hexafluoro-3-[3-[naphthalen-1-yl(phenyl)sulfonio]phenoxy]sulfonylpropane-1-sulfonate;1,1,2,2,3,3-hexafluoro-3-(3-thianthren-5-ium-5-ylphenoxy)sulfonylpropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-(3-phenoxathiin-10-ium-10-ylphenoxy)propane-1-sulfonate
• PubChem CID: 159891498
• Molecular Formula: C153H101F39N2O37S19
• Molecular Weight: 3909.66 g/mol
• Exact Mass: 3906.02
• IUPAC Name: 2-(3-dibenzothiophen-5-ium-5-ylphenoxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;3-(4-dibenzothiophen-5-ium-5-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;2-[3-[ethyl-(1-methylindol-3-yl)sulfonio]phenoxy]-1,1,3,3,3-pentafluoropropane-1-sulfonate;1,1,2,2,3,3-hexafluoro-3-[2-[(1-methylindol-3-yl)-phenylsulfonio]phenoxy]sulfonylpropane-1-sulfonate;1,1,2,2,3,3-hexafluoro-3-[3-[naphthalen-1-yl(phenyl)sulfonio]phenoxy]sulfonylpropane-1-sulfonate;1,1,2,2,3,3-hexafluoro-3-(3-thianthren-5-ium-5-ylphenoxy)sulfonylpropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-(3-phenoxathiin-10-ium-10-ylphenoxy)propane-1-sulfonate
• SMILES: CC[S+](c1cccc(OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])c1)c1cn(C)c2ccccc12.Cn1cc([S+](c2ccccc2)c2ccccc2OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)[O-])c2ccccc21.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)Oc1ccc(-[s+]2c3ccccc3c3ccccc32)cc1.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)Oc1cccc([S+](c2ccccc2)c2cccc3ccccc23)c1.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)Oc1cccc([S+]2c3ccccc3Sc3ccccc32)c1.O=S(=O)([O-])C(F)(F)C(Oc1cccc(-[s+]2c3ccccc3c3ccccc32)c1)C(F)(F)F.O=S(=O)([O-])C(F)(F)C(Oc1cccc([S+]2c3ccccc3Oc3ccccc32)c1)C(F)(F)F
• InChI: InChI=1S/C25H16F6O6S3.C24H17F6NO6S3.C21H12F6O6S4.C21H12F6O6S3.C21H13F5O5S2.C21H13F5O4S2.C20H18F5NO4S2/c26-23(27,24(28,29)39(32,33)34)25(30,31)40(35,36)37-18-10-7-13-20(16-18)38(19-11-2-1-3-12-19)22-15-6-9-17-8-4-5-14-21(17)22;1-31-15-21(17-11-5-6-12-18(17)31)38(16-9-3-2-4-10-16)20-14-8-7-13-19(20)37-40(35,36)24(29,30)22(25,26)23(27,28)39(32,33)34;22-19(23,20(24,25)36(28,29)30)21(26,27)37(31,32)33-13-6-5-7-14(12-13)35-17-10-3-1-8-15(17)34-16-9-2-4-11-18(16)35;22-19(23,20(24,25)35(28,29)30)21(26,27)36(31,32)33-13-9-11-14(12-10-13)34-17-7-3-1-5-15(17)16-6-2-4-8-18(16)34;22-20(23,24)19(21(25,26)33(27,28)29)30-13-6-5-7-14(12-13)32-17-10-3-1-8-15(17)31-16-9-2-4-11-18(16)32;22-20(23,24)19(21(25,26)32(27,28)29)30-13-6-5-7-14(12-13)31-17-10-3-1-8-15(17)16-9-2-4-11-18(16)31;1-3-31(17-12-26(2)16-10-5-4-9-15(16)17)14-8-6-7-13(11-14)30-18(19(21,22)23)20(24,25)32(27,28)29/h1-16H;2-15H,1H3;1-12H;1-12H;1-12,19H;1-12,19H;4-12,18H,3H2,1-2H3
• InChIKey: NUURYGJHDFWDBA-UHFFFAOYSA-N
• XLogP: 38.68
• TPSA: 620.66 Ų
• H-Bond Acceptors: 40
• Rotatable Bonds: 49
• Heavy Atoms: 250
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3909.66
LogP ≤ 5	38.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	40

Frequently Asked Questions

What is the IUPAC name of 2-(3-dibenzothiophen-5-ium-5-ylphenoxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;3-(4-dibenzothiophen-5-ium-5-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;2-[3-[ethyl-(1-methylindol-3-yl)sulfonio]phenoxy]-1,1,3,3,3-pentafluoropropane-1-sulfonate;1,1,2,2,3,3-hexafluoro-3-[2-[(1-methylindol-3-yl)-phenylsulfonio]phenoxy]sulfonylpropane-1-sulfonate;1,1,2,2,3,3-hexafluoro-3-[3-[naphthalen-1-yl(phenyl)sulfonio]phenoxy]sulfonylpropane-1-sulfonate;1,1,2,2,3,3-hexafluoro-3-(3-thianthren-5-ium-5-ylphenoxy)sulfonylpropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-(3-phenoxathiin-10-ium-10-ylphenoxy)propane-1-sulfonate?

The IUPAC name of 2-(3-dibenzothiophen-5-ium-5-ylphenoxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;3-(4-dibenzothiophen-5-ium-5-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;2-[3-[ethyl-(1-methylindol-3-yl)sulfonio]phenoxy]-1,1,3,3,3-pentafluoropropane-1-sulfonate;1,1,2,2,3,3-hexafluoro-3-[2-[(1-methylindol-3-yl)-phenylsulfonio]phenoxy]sulfonylpropane-1-sulfonate;1,1,2,2,3,3-hexafluoro-3-[3-[naphthalen-1-yl(phenyl)sulfonio]phenoxy]sulfonylpropane-1-sulfonate;1,1,2,2,3,3-hexafluoro-3-(3-thianthren-5-ium-5-ylphenoxy)sulfonylpropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-(3-phenoxathiin-10-ium-10-ylphenoxy)propane-1-sulfonate (CID 159891498) is 2-(3-dibenzothiophen-5-ium-5-ylphenoxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;3-(4-dibenzothiophen-5-ium-5-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;2-[3-[ethyl-(1-methylindol-3-yl)sulfonio]phenoxy]-1,1,3,3,3-pentafluoropropane-1-sulfonate;1,1,2,2,3,3-hexafluoro-3-[2-[(1-methylindol-3-yl)-phenylsulfonio]phenoxy]sulfonylpropane-1-sulfonate;1,1,2,2,3,3-hexafluoro-3-[3-[naphthalen-1-yl(phenyl)sulfonio]phenoxy]sulfonylpropane-1-sulfonate;1,1,2,2,3,3-hexafluoro-3-(3-thianthren-5-ium-5-ylphenoxy)sulfonylpropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-(3-phenoxathiin-10-ium-10-ylphenoxy)propane-1-sulfonate.

What is the SMILES notation for 2-(3-dibenzothiophen-5-ium-5-ylphenoxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;3-(4-dibenzothiophen-5-ium-5-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;2-[3-[ethyl-(1-methylindol-3-yl)sulfonio]phenoxy]-1,1,3,3,3-pentafluoropropane-1-sulfonate;1,1,2,2,3,3-hexafluoro-3-[2-[(1-methylindol-3-yl)-phenylsulfonio]phenoxy]sulfonylpropane-1-sulfonate;1,1,2,2,3,3-hexafluoro-3-[3-[naphthalen-1-yl(phenyl)sulfonio]phenoxy]sulfonylpropane-1-sulfonate;1,1,2,2,3,3-hexafluoro-3-(3-thianthren-5-ium-5-ylphenoxy)sulfonylpropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-(3-phenoxathiin-10-ium-10-ylphenoxy)propane-1-sulfonate?

The canonical SMILES for 2-(3-dibenzothiophen-5-ium-5-ylphenoxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;3-(4-dibenzothiophen-5-ium-5-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;2-[3-[ethyl-(1-methylindol-3-yl)sulfonio]phenoxy]-1,1,3,3,3-pentafluoropropane-1-sulfonate;1,1,2,2,3,3-hexafluoro-3-[2-[(1-methylindol-3-yl)-phenylsulfonio]phenoxy]sulfonylpropane-1-sulfonate;1,1,2,2,3,3-hexafluoro-3-[3-[naphthalen-1-yl(phenyl)sulfonio]phenoxy]sulfonylpropane-1-sulfonate;1,1,2,2,3,3-hexafluoro-3-(3-thianthren-5-ium-5-ylphenoxy)sulfonylpropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-(3-phenoxathiin-10-ium-10-ylphenoxy)propane-1-sulfonate is CC[S+](c1cccc(OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])c1)c1cn(C)c2ccccc12.Cn1cc([S+](c2ccccc2)c2ccccc2OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)[O-])c2ccccc21.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)Oc1ccc(-[s+]2c3ccccc3c3ccccc32)cc1.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)Oc1cccc([S+](c2ccccc2)c2cccc3ccccc23)c1.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)Oc1cccc([S+]2c3ccccc3Sc3ccccc32)c1.O=S(=O)([O-])C(F)(F)C(Oc1cccc(-[s+]2c3ccccc3c3ccccc32)c1)C(F)(F)F.O=S(=O)([O-])C(F)(F)C(Oc1cccc([S+]2c3ccccc3Oc3ccccc32)c1)C(F)(F)F.

What is the InChIKey of 2-(3-dibenzothiophen-5-ium-5-ylphenoxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;3-(4-dibenzothiophen-5-ium-5-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;2-[3-[ethyl-(1-methylindol-3-yl)sulfonio]phenoxy]-1,1,3,3,3-pentafluoropropane-1-sulfonate;1,1,2,2,3,3-hexafluoro-3-[2-[(1-methylindol-3-yl)-phenylsulfonio]phenoxy]sulfonylpropane-1-sulfonate;1,1,2,2,3,3-hexafluoro-3-[3-[naphthalen-1-yl(phenyl)sulfonio]phenoxy]sulfonylpropane-1-sulfonate;1,1,2,2,3,3-hexafluoro-3-(3-thianthren-5-ium-5-ylphenoxy)sulfonylpropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-(3-phenoxathiin-10-ium-10-ylphenoxy)propane-1-sulfonate?

The InChIKey is NUURYGJHDFWDBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16F6O6S3.C24H17F6NO6S3.C21H12F6O6S4.C21H12F6O6S3.C21H13F5O5S2.C21H13F5O4S2.C20H18F5NO4S2/c26-23(27,24(28,29)39(32,33)34)25(30,31)40(35,36)37-18-10-7-13-20(16-18)38(19-11-2-1-3-12-19)22-15-6-9-17-8-4-5-14-21(17)22;1-31-15-21(17-11-5-6-12-18(17)31)38(16-9-3-2-4-10-16)20-14-8-7-13-19(20)37-40(35,36)24(29,30)22(25,26)23(27,28)39(32,33)34;22-19(23,20(24,25)36(28,29)30)21(26,27)37(31,32)33-13-6-5-7-14(12-13)35-17-10-3-1-8-15(17)34-16-9-2-4-11-18(16)35;22-19(23,20(24,25)35(28,29)30)21(26,27)36(31,32)33-13-9-11-14(12-10-13)34-17-7-3-1-5-15(17)16-6-2-4-8-18(16)34;22-20(23,24)19(21(25,26)33(27,28)29)30-13-6-5-7-14(12-13)32-17-10-3-1-8-15(17)31-16-9-2-4-11-18(16)32;22-20(23,24)19(21(25,26)32(27,28)29)30-13-6-5-7-14(12-13)31-17-10-3-1-8-15(17)16-9-2-4-11-18(16)31;1-3-31(17-12-26(2)16-10-5-4-9-15(16)17)14-8-6-7-13(11-14)30-18(19(21,22)23)20(24,25)32(27,28)29/h1-16H;2-15H,1H3;1-12H;1-12H;1-12,19H;1-12,19H;4-12,18H,3H2,1-2H3.

What are the key properties of 2-(3-dibenzothiophen-5-ium-5-ylphenoxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;3-(4-dibenzothiophen-5-ium-5-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;2-[3-[ethyl-(1-methylindol-3-yl)sulfonio]phenoxy]-1,1,3,3,3-pentafluoropropane-1-sulfonate;1,1,2,2,3,3-hexafluoro-3-[2-[(1-methylindol-3-yl)-phenylsulfonio]phenoxy]sulfonylpropane-1-sulfonate;1,1,2,2,3,3-hexafluoro-3-[3-[naphthalen-1-yl(phenyl)sulfonio]phenoxy]sulfonylpropane-1-sulfonate;1,1,2,2,3,3-hexafluoro-3-(3-thianthren-5-ium-5-ylphenoxy)sulfonylpropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-(3-phenoxathiin-10-ium-10-ylphenoxy)propane-1-sulfonate?

2-(3-dibenzothiophen-5-ium-5-ylphenoxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;3-(4-dibenzothiophen-5-ium-5-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;2-[3-[ethyl-(1-methylindol-3-yl)sulfonio]phenoxy]-1,1,3,3,3-pentafluoropropane-1-sulfonate;1,1,2,2,3,3-hexafluoro-3-[2-[(1-methylindol-3-yl)-phenylsulfonio]phenoxy]sulfonylpropane-1-sulfonate;1,1,2,2,3,3-hexafluoro-3-[3-[naphthalen-1-yl(phenyl)sulfonio]phenoxy]sulfonylpropane-1-sulfonate;1,1,2,2,3,3-hexafluoro-3-(3-thianthren-5-ium-5-ylphenoxy)sulfonylpropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-(3-phenoxathiin-10-ium-10-ylphenoxy)propane-1-sulfonate has a molecular weight of 3909.66 g/mol, XLogP of 38.68, 49 rotatable bonds, 0 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-dibenzothiophen-5-ium-5-ylphenoxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;3-(4-dibenzothiophen-5-ium-5-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;2-[3-[ethyl-(1-methylindol-3-yl)sulfonio]phenoxy]-1,1,3,3,3-pentafluoropropane-1-sulfonate;1,1,2,2,3,3-hexafluoro-3-[2-[(1-methylindol-3-yl)-phenylsulfonio]phenoxy]sulfonylpropane-1-sulfonate;1,1,2,2,3,3-hexafluoro-3-[3-[naphthalen-1-yl(phenyl)sulfonio]phenoxy]sulfonylpropane-1-sulfonate;1,1,2,2,3,3-hexafluoro-3-(3-thianthren-5-ium-5-ylphenoxy)sulfonylpropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-(3-phenoxathiin-10-ium-10-ylphenoxy)propane-1-sulfonate is sourced from PubChem (CID 159891498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).