3-(4-acetylpiperazin-1-yl)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;3-(1-adamantylmethylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;[1-[2-(1-adamantyl)propan-2-yloxy]-1-oxobutan-2-yl]-bis(2,4-dimethylphenyl)sulfanium;[1-(2-cyclohexylpropan-2-yloxycarbonyl)cyclopentyl]-(2,4-dimethylphenyl)-(2,4,6-trimethylphenyl)sulfanium;[1-(2-cyclopentylpropan-2-yloxy)-1-oxopropan-2-yl]-bis(4-methoxyphenyl)sulfanium;[1-(1,1-dicyclohexylethoxy)-1-oxopropan-2-yl]-bis(4-methoxyphenyl)sulfanium;1-(1,1-difluoroethylsulfonyl)piperidine;[difluoro(piperidin-1-ylsulfonyl)methyl]sulfonyl-methylsulfonylazanide

C158H220F16N5O31S12+ — CID 159906384

About 3-(4-acetylpiperazin-1-yl)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;3-(1-adamantylmethylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;[1-[2-(1-adamantyl)propan-2-yloxy]-1-oxobutan-2-yl]-bis(2,4-dimethylphenyl)sulfanium;[1-(2-cyclohexylpropan-2-yloxycarbonyl)cyclopentyl]-(2,4-dimethylphenyl)-(2,4,6-trimethylphenyl)sulfanium;[1-(2-cyclopentylpropan-2-yloxy)-1-oxopropan-2-yl]-bis(4-methoxyphenyl)sulfanium;[1-(1,1-dicyclohexylethoxy)-1-oxopropan-2-yl]-bis(4-methoxyphenyl)sulfanium;1-(1,1-difluoroethylsulfonyl)piperidine;[difluoro(piperidin-1-ylsulfonyl)methyl]sulfonyl-methylsulfonylazanide

3-(4-acetylpiperazin-1-yl)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;3-(1-adamantylmethylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;[1-[2-(1-adamantyl)propan-2-yloxy]-1-oxobutan-2-yl]-bis(2,4-dimethylphenyl)sulfanium;[1-(2-cyclohexylpropan-2-yloxycarbonyl)cyclopentyl]-(2,4-dimethylphenyl)-(2,4,6-trimethylphenyl)sulfanium;[1-(2-cyclopentylpropan-2-yloxy)-1-oxopropan-2-yl]-bis(4-methoxyphenyl)sulfanium;[1-(1,1-dicyclohexylethoxy)-1-oxopropan-2-yl]-bis(4-methoxyphenyl)sulfanium;1-(1,1-difluoroethylsulfonyl)piperidine;[difluoro(piperidin-1-ylsulfonyl)methyl]sulfonyl-methylsulfonylazanide (PubChem CID 159906384) has the molecular formula C158H220F16N5O31S12+ and a molecular weight of 3374.27 g/mol. Its IUPAC name is 3-(4-acetylpiperazin-1-yl)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;3-(1-adamantylmethylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;[1-[2-(1-adamantyl)propan-2-yloxy]-1-oxobutan-2-yl]-bis(2,4-dimethylphenyl)sulfanium;[1-(2-cyclohexylpropan-2-yloxycarbonyl)cyclopentyl]-(2,4-dimethylphenyl)-(2,4,6-trimethylphenyl)sulfanium;[1-(2-cyclopentylpropan-2-yloxy)-1-oxopropan-2-yl]-bis(4-methoxyphenyl)sulfanium;[1-(1,1-dicyclohexylethoxy)-1-oxopropan-2-yl]-bis(4-methoxyphenyl)sulfanium;1-(1,1-difluoroethylsulfonyl)piperidine;[difluoro(piperidin-1-ylsulfonyl)methyl]sulfonyl-methylsulfonylazanide.

Molecular Properties

• Compound Name: 3-(4-acetylpiperazin-1-yl)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;3-(1-adamantylmethylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;[1-[2-(1-adamantyl)propan-2-yloxy]-1-oxobutan-2-yl]-bis(2,4-dimethylphenyl)sulfanium;[1-(2-cyclohexylpropan-2-yloxycarbonyl)cyclopentyl]-(2,4-dimethylphenyl)-(2,4,6-trimethylphenyl)sulfanium;[1-(2-cyclopentylpropan-2-yloxy)-1-oxopropan-2-yl]-bis(4-methoxyphenyl)sulfanium;[1-(1,1-dicyclohexylethoxy)-1-oxopropan-2-yl]-bis(4-methoxyphenyl)sulfanium;1-(1,1-difluoroethylsulfonyl)piperidine;[difluoro(piperidin-1-ylsulfonyl)methyl]sulfonyl-methylsulfonylazanide
• PubChem CID: 159906384
• Molecular Formula: C158H220F16N5O31S12+
• Molecular Weight: 3374.27 g/mol
• Exact Mass: 3371.22
• IUPAC Name: 3-(4-acetylpiperazin-1-yl)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;3-(1-adamantylmethylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;[1-[2-(1-adamantyl)propan-2-yloxy]-1-oxobutan-2-yl]-bis(2,4-dimethylphenyl)sulfanium;[1-(2-cyclohexylpropan-2-yloxycarbonyl)cyclopentyl]-(2,4-dimethylphenyl)-(2,4,6-trimethylphenyl)sulfanium;[1-(2-cyclopentylpropan-2-yloxy)-1-oxopropan-2-yl]-bis(4-methoxyphenyl)sulfanium;[1-(1,1-dicyclohexylethoxy)-1-oxopropan-2-yl]-bis(4-methoxyphenyl)sulfanium;1-(1,1-difluoroethylsulfonyl)piperidine;[difluoro(piperidin-1-ylsulfonyl)methyl]sulfonyl-methylsulfonylazanide
• SMILES: CC(=O)N1CCN(S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)[O-])CC1.CC(F)(F)S(=O)(=O)N1CCCCC1.CCC(C(=O)OC(C)(C)C12CC3CC(CC(C3)C1)C2)[S+](c1ccc(C)cc1C)c1ccc(C)cc1C.COc1ccc([S+](c2ccc(OC)cc2)C(C)C(=O)OC(C)(C)C2CCCC2)cc1.COc1ccc([S+](c2ccc(OC)cc2)C(C)C(=O)OC(C)(C2CCCCC2)C2CCCCC2)cc1.CS(=O)(=O)[N-]S(=O)(=O)C(F)(F)S(=O)(=O)N1CCCCC1.Cc1ccc([S+](c2c(C)cc(C)cc2C)C2(C(=O)OC(C)(C)C3CCCCC3)CCCC2)c(C)c1.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)CC12CC3CC(CC(C3)C1)C2
• InChI: InChI=1S/C33H45O2S.C32H45O2S.C31H43O4S.C25H33O4S.C14H18F6O5S2.C9H12F6N2O6S2.C7H13F2N2O6S3.C7H13F2NO2S/c1-8-28(31(34)35-32(6,7)33-18-25-15-26(19-33)17-27(16-25)20-33)36(29-11-9-21(2)13-23(29)4)30-12-10-22(3)14-24(30)5;1-22-15-16-28(24(3)19-22)35(29-25(4)20-23(2)21-26(29)5)32(17-11-12-18-32)30(33)34-31(6,7)27-13-9-8-10-14-27;1-23(30(32)35-31(2,24-11-7-5-8-12-24)25-13-9-6-10-14-25)36(28-19-15-26(33-3)16-20-28)29-21-17-27(34-4)18-22-29;1-18(24(26)29-25(2,3)19-8-6-7-9-19)30(22-14-10-20(27-4)11-15-22)23-16-12-21(28-5)13-17-23;15-12(16,14(19,20)27(23,24)25)13(17,18)26(21,22)7-11-4-8-1-9(5-11)3-10(2-8)6-11;1-6(18)16-2-4-17(5-3-16)24(19,20)8(12,13)7(10,11)9(14,15)25(21,22)23;1-18(12,13)10-19(14,15)7(8,9)20(16,17)11-5-3-2-4-6-11;1-7(8,9)13(11,12)10-5-3-2-4-6-10/h9-14,25-28H,8,15-20H2,1-7H3;15-16,19-21,27H,8-14,17-18H2,1-7H3;15-25H,5-14H2,1-4H3;10-19H,6-9H2,1-5H3;8-10H,1-7H2,(H,23,24,25);2-5H2,1H3,(H,21,22,23);2-6H2,1H3;2-6H2,1H3/q4*+1;;;-1;/p-2
• InChIKey: NWPYBZCKNUSPHS-UHFFFAOYSA-L
• XLogP: 34.25
• TPSA: 505.49 Ų
• H-Bond Acceptors: 31
• Rotatable Bonds: 48
• Heavy Atoms: 222
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3374.27
LogP ≤ 5	34.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-(4-acetylpiperazin-1-yl)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;3-(1-adamantylmethylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;[1-[2-(1-adamantyl)propan-2-yloxy]-1-oxobutan-2-yl]-bis(2,4-dimethylphenyl)sulfanium;[1-(2-cyclohexylpropan-2-yloxycarbonyl)cyclopentyl]-(2,4-dimethylphenyl)-(2,4,6-trimethylphenyl)sulfanium;[1-(2-cyclopentylpropan-2-yloxy)-1-oxopropan-2-yl]-bis(4-methoxyphenyl)sulfanium;[1-(1,1-dicyclohexylethoxy)-1-oxopropan-2-yl]-bis(4-methoxyphenyl)sulfanium;1-(1,1-difluoroethylsulfonyl)piperidine;[difluoro(piperidin-1-ylsulfonyl)methyl]sulfonyl-methylsulfonylazanide?

The IUPAC name of 3-(4-acetylpiperazin-1-yl)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;3-(1-adamantylmethylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;[1-[2-(1-adamantyl)propan-2-yloxy]-1-oxobutan-2-yl]-bis(2,4-dimethylphenyl)sulfanium;[1-(2-cyclohexylpropan-2-yloxycarbonyl)cyclopentyl]-(2,4-dimethylphenyl)-(2,4,6-trimethylphenyl)sulfanium;[1-(2-cyclopentylpropan-2-yloxy)-1-oxopropan-2-yl]-bis(4-methoxyphenyl)sulfanium;[1-(1,1-dicyclohexylethoxy)-1-oxopropan-2-yl]-bis(4-methoxyphenyl)sulfanium;1-(1,1-difluoroethylsulfonyl)piperidine;[difluoro(piperidin-1-ylsulfonyl)methyl]sulfonyl-methylsulfonylazanide (CID 159906384) is 3-(4-acetylpiperazin-1-yl)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;3-(1-adamantylmethylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;[1-[2-(1-adamantyl)propan-2-yloxy]-1-oxobutan-2-yl]-bis(2,4-dimethylphenyl)sulfanium;[1-(2-cyclohexylpropan-2-yloxycarbonyl)cyclopentyl]-(2,4-dimethylphenyl)-(2,4,6-trimethylphenyl)sulfanium;[1-(2-cyclopentylpropan-2-yloxy)-1-oxopropan-2-yl]-bis(4-methoxyphenyl)sulfanium;[1-(1,1-dicyclohexylethoxy)-1-oxopropan-2-yl]-bis(4-methoxyphenyl)sulfanium;1-(1,1-difluoroethylsulfonyl)piperidine;[difluoro(piperidin-1-ylsulfonyl)methyl]sulfonyl-methylsulfonylazanide.

What is the SMILES notation for 3-(4-acetylpiperazin-1-yl)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;3-(1-adamantylmethylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;[1-[2-(1-adamantyl)propan-2-yloxy]-1-oxobutan-2-yl]-bis(2,4-dimethylphenyl)sulfanium;[1-(2-cyclohexylpropan-2-yloxycarbonyl)cyclopentyl]-(2,4-dimethylphenyl)-(2,4,6-trimethylphenyl)sulfanium;[1-(2-cyclopentylpropan-2-yloxy)-1-oxopropan-2-yl]-bis(4-methoxyphenyl)sulfanium;[1-(1,1-dicyclohexylethoxy)-1-oxopropan-2-yl]-bis(4-methoxyphenyl)sulfanium;1-(1,1-difluoroethylsulfonyl)piperidine;[difluoro(piperidin-1-ylsulfonyl)methyl]sulfonyl-methylsulfonylazanide?

The canonical SMILES for 3-(4-acetylpiperazin-1-yl)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;3-(1-adamantylmethylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;[1-[2-(1-adamantyl)propan-2-yloxy]-1-oxobutan-2-yl]-bis(2,4-dimethylphenyl)sulfanium;[1-(2-cyclohexylpropan-2-yloxycarbonyl)cyclopentyl]-(2,4-dimethylphenyl)-(2,4,6-trimethylphenyl)sulfanium;[1-(2-cyclopentylpropan-2-yloxy)-1-oxopropan-2-yl]-bis(4-methoxyphenyl)sulfanium;[1-(1,1-dicyclohexylethoxy)-1-oxopropan-2-yl]-bis(4-methoxyphenyl)sulfanium;1-(1,1-difluoroethylsulfonyl)piperidine;[difluoro(piperidin-1-ylsulfonyl)methyl]sulfonyl-methylsulfonylazanide is CC(=O)N1CCN(S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)[O-])CC1.CC(F)(F)S(=O)(=O)N1CCCCC1.CCC(C(=O)OC(C)(C)C12CC3CC(CC(C3)C1)C2)[S+](c1ccc(C)cc1C)c1ccc(C)cc1C.COc1ccc([S+](c2ccc(OC)cc2)C(C)C(=O)OC(C)(C)C2CCCC2)cc1.COc1ccc([S+](c2ccc(OC)cc2)C(C)C(=O)OC(C)(C2CCCCC2)C2CCCCC2)cc1.CS(=O)(=O)[N-]S(=O)(=O)C(F)(F)S(=O)(=O)N1CCCCC1.Cc1ccc([S+](c2c(C)cc(C)cc2C)C2(C(=O)OC(C)(C)C3CCCCC3)CCCC2)c(C)c1.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)CC12CC3CC(CC(C3)C1)C2.

What is the InChIKey of 3-(4-acetylpiperazin-1-yl)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;3-(1-adamantylmethylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;[1-[2-(1-adamantyl)propan-2-yloxy]-1-oxobutan-2-yl]-bis(2,4-dimethylphenyl)sulfanium;[1-(2-cyclohexylpropan-2-yloxycarbonyl)cyclopentyl]-(2,4-dimethylphenyl)-(2,4,6-trimethylphenyl)sulfanium;[1-(2-cyclopentylpropan-2-yloxy)-1-oxopropan-2-yl]-bis(4-methoxyphenyl)sulfanium;[1-(1,1-dicyclohexylethoxy)-1-oxopropan-2-yl]-bis(4-methoxyphenyl)sulfanium;1-(1,1-difluoroethylsulfonyl)piperidine;[difluoro(piperidin-1-ylsulfonyl)methyl]sulfonyl-methylsulfonylazanide?

The InChIKey is NWPYBZCKNUSPHS-UHFFFAOYSA-L. The full InChI is InChI=1S/C33H45O2S.C32H45O2S.C31H43O4S.C25H33O4S.C14H18F6O5S2.C9H12F6N2O6S2.C7H13F2N2O6S3.C7H13F2NO2S/c1-8-28(31(34)35-32(6,7)33-18-25-15-26(19-33)17-27(16-25)20-33)36(29-11-9-21(2)13-23(29)4)30-12-10-22(3)14-24(30)5;1-22-15-16-28(24(3)19-22)35(29-25(4)20-23(2)21-26(29)5)32(17-11-12-18-32)30(33)34-31(6,7)27-13-9-8-10-14-27;1-23(30(32)35-31(2,24-11-7-5-8-12-24)25-13-9-6-10-14-25)36(28-19-15-26(33-3)16-20-28)29-21-17-27(34-4)18-22-29;1-18(24(26)29-25(2,3)19-8-6-7-9-19)30(22-14-10-20(27-4)11-15-22)23-16-12-21(28-5)13-17-23;15-12(16,14(19,20)27(23,24)25)13(17,18)26(21,22)7-11-4-8-1-9(5-11)3-10(2-8)6-11;1-6(18)16-2-4-17(5-3-16)24(19,20)8(12,13)7(10,11)9(14,15)25(21,22)23;1-18(12,13)10-19(14,15)7(8,9)20(16,17)11-5-3-2-4-6-11;1-7(8,9)13(11,12)10-5-3-2-4-6-10/h9-14,25-28H,8,15-20H2,1-7H3;15-16,19-21,27H,8-14,17-18H2,1-7H3;15-25H,5-14H2,1-4H3;10-19H,6-9H2,1-5H3;8-10H,1-7H2,(H,23,24,25);2-5H2,1H3,(H,21,22,23);2-6H2,1H3;2-6H2,1H3/q4*+1;;;-1;/p-2.

What are the key properties of 3-(4-acetylpiperazin-1-yl)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;3-(1-adamantylmethylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;[1-[2-(1-adamantyl)propan-2-yloxy]-1-oxobutan-2-yl]-bis(2,4-dimethylphenyl)sulfanium;[1-(2-cyclohexylpropan-2-yloxycarbonyl)cyclopentyl]-(2,4-dimethylphenyl)-(2,4,6-trimethylphenyl)sulfanium;[1-(2-cyclopentylpropan-2-yloxy)-1-oxopropan-2-yl]-bis(4-methoxyphenyl)sulfanium;[1-(1,1-dicyclohexylethoxy)-1-oxopropan-2-yl]-bis(4-methoxyphenyl)sulfanium;1-(1,1-difluoroethylsulfonyl)piperidine;[difluoro(piperidin-1-ylsulfonyl)methyl]sulfonyl-methylsulfonylazanide?

3-(4-acetylpiperazin-1-yl)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;3-(1-adamantylmethylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;[1-[2-(1-adamantyl)propan-2-yloxy]-1-oxobutan-2-yl]-bis(2,4-dimethylphenyl)sulfanium;[1-(2-cyclohexylpropan-2-yloxycarbonyl)cyclopentyl]-(2,4-dimethylphenyl)-(2,4,6-trimethylphenyl)sulfanium;[1-(2-cyclopentylpropan-2-yloxy)-1-oxopropan-2-yl]-bis(4-methoxyphenyl)sulfanium;[1-(1,1-dicyclohexylethoxy)-1-oxopropan-2-yl]-bis(4-methoxyphenyl)sulfanium;1-(1,1-difluoroethylsulfonyl)piperidine;[difluoro(piperidin-1-ylsulfonyl)methyl]sulfonyl-methylsulfonylazanide has a molecular weight of 3374.27 g/mol, XLogP of 34.25, 48 rotatable bonds, 0 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-acetylpiperazin-1-yl)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;3-(1-adamantylmethylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;[1-[2-(1-adamantyl)propan-2-yloxy]-1-oxobutan-2-yl]-bis(2,4-dimethylphenyl)sulfanium;[1-(2-cyclohexylpropan-2-yloxycarbonyl)cyclopentyl]-(2,4-dimethylphenyl)-(2,4,6-trimethylphenyl)sulfanium;[1-(2-cyclopentylpropan-2-yloxy)-1-oxopropan-2-yl]-bis(4-methoxyphenyl)sulfanium;[1-(1,1-dicyclohexylethoxy)-1-oxopropan-2-yl]-bis(4-methoxyphenyl)sulfanium;1-(1,1-difluoroethylsulfonyl)piperidine;[difluoro(piperidin-1-ylsulfonyl)methyl]sulfonyl-methylsulfonylazanide is sourced from PubChem (CID 159906384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).