[1,1,2,2,3,3-hexafluoro-3-[4-(2-oxocyclopentyl)piperazin-1-yl]sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;2-methylbutan-2-yl 4-hydroxypiperidine-1-carboxylate;2-morpholin-4-ylethyl dodecanoate;2-phenyl-3H-indole;2,4,5-triphenyl-1H-imidazole;triphenylsulfanium

C95H113F9N8O13S4 — CID 160621209

About [1,1,2,2,3,3-hexafluoro-3-[4-(2-oxocyclopentyl)piperazin-1-yl]sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;2-methylbutan-2-yl 4-hydroxypiperidine-1-carboxylate;2-morpholin-4-ylethyl dodecanoate;2-phenyl-3H-indole;2,4,5-triphenyl-1H-imidazole;triphenylsulfanium

[1,1,2,2,3,3-hexafluoro-3-[4-(2-oxocyclopentyl)piperazin-1-yl]sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;2-methylbutan-2-yl 4-hydroxypiperidine-1-carboxylate;2-morpholin-4-ylethyl dodecanoate;2-phenyl-3H-indole;2,4,5-triphenyl-1H-imidazole;triphenylsulfanium (PubChem CID 160621209) has the molecular formula C95H113F9N8O13S4 and a molecular weight of 1874.24 g/mol. Its IUPAC name is [1,1,2,2,3,3-hexafluoro-3-[4-(2-oxocyclopentyl)piperazin-1-yl]sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;2-methylbutan-2-yl 4-hydroxypiperidine-1-carboxylate;2-morpholin-4-ylethyl dodecanoate;2-phenyl-3H-indole;2,4,5-triphenyl-1H-imidazole;triphenylsulfanium.

Molecular Properties

• Compound Name: [1,1,2,2,3,3-hexafluoro-3-[4-(2-oxocyclopentyl)piperazin-1-yl]sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;2-methylbutan-2-yl 4-hydroxypiperidine-1-carboxylate;2-morpholin-4-ylethyl dodecanoate;2-phenyl-3H-indole;2,4,5-triphenyl-1H-imidazole;triphenylsulfanium
• PubChem CID: 160621209
• Molecular Formula: C95H113F9N8O13S4
• Molecular Weight: 1874.24 g/mol
• Exact Mass: 1872.72
• IUPAC Name: [1,1,2,2,3,3-hexafluoro-3-[4-(2-oxocyclopentyl)piperazin-1-yl]sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;2-methylbutan-2-yl 4-hydroxypiperidine-1-carboxylate;2-morpholin-4-ylethyl dodecanoate;2-phenyl-3H-indole;2,4,5-triphenyl-1H-imidazole;triphenylsulfanium
• SMILES: CCC(C)(C)OC(=O)N1CCC(O)CC1.CCCCCCCCCCCC(=O)OCCN1CCOCC1.O=C1CCCC1N1CCN(S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)CC1.c1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1.c1ccc(C2=Nc3ccccc3C2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/C21H16N2.C18H35NO3.C18H15S.C14H11N.C13H15F9N3O7S3.C11H21NO3/c1-4-10-16(11-5-1)19-20(17-12-6-2-7-13-17)23-21(22-19)18-14-8-3-9-15-18;1-2-3-4-5-6-7-8-9-10-11-18(20)22-17-14-19-12-15-21-16-13-19;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-6-11(7-3-1)14-10-12-8-4-5-9-13(12)15-14;14-10(15,11(16,17)33(27,28)23-34(29,30)13(20,21)22)12(18,19)35(31,32)25-6-4-24(5-7-25)8-2-1-3-9(8)26;1-4-11(2,3)15-10(14)12-7-5-9(13)6-8-12/h1-15H,(H,22,23);2-17H2,1H3;1-15H;1-9H,10H2;8H,1-7H2;9,13H,4-8H2,1-3H3/q;;+1;;-1
• InChIKey: RGSLYRGMZZPDKG-UHFFFAOYSA-N
• XLogP: 20.54
• TPSA: 269.65 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 17
• Rotatable Bonds: 30
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1874.24
LogP ≤ 5	20.54
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imidazole_A(19)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [1,1,2,2,3,3-hexafluoro-3-[4-(2-oxocyclopentyl)piperazin-1-yl]sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;2-methylbutan-2-yl 4-hydroxypiperidine-1-carboxylate;2-morpholin-4-ylethyl dodecanoate;2-phenyl-3H-indole;2,4,5-triphenyl-1H-imidazole;triphenylsulfanium?

The IUPAC name of [1,1,2,2,3,3-hexafluoro-3-[4-(2-oxocyclopentyl)piperazin-1-yl]sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;2-methylbutan-2-yl 4-hydroxypiperidine-1-carboxylate;2-morpholin-4-ylethyl dodecanoate;2-phenyl-3H-indole;2,4,5-triphenyl-1H-imidazole;triphenylsulfanium (CID 160621209) is [1,1,2,2,3,3-hexafluoro-3-[4-(2-oxocyclopentyl)piperazin-1-yl]sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;2-methylbutan-2-yl 4-hydroxypiperidine-1-carboxylate;2-morpholin-4-ylethyl dodecanoate;2-phenyl-3H-indole;2,4,5-triphenyl-1H-imidazole;triphenylsulfanium.

What is the SMILES notation for [1,1,2,2,3,3-hexafluoro-3-[4-(2-oxocyclopentyl)piperazin-1-yl]sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;2-methylbutan-2-yl 4-hydroxypiperidine-1-carboxylate;2-morpholin-4-ylethyl dodecanoate;2-phenyl-3H-indole;2,4,5-triphenyl-1H-imidazole;triphenylsulfanium?

The canonical SMILES for [1,1,2,2,3,3-hexafluoro-3-[4-(2-oxocyclopentyl)piperazin-1-yl]sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;2-methylbutan-2-yl 4-hydroxypiperidine-1-carboxylate;2-morpholin-4-ylethyl dodecanoate;2-phenyl-3H-indole;2,4,5-triphenyl-1H-imidazole;triphenylsulfanium is CCC(C)(C)OC(=O)N1CCC(O)CC1.CCCCCCCCCCCC(=O)OCCN1CCOCC1.O=C1CCCC1N1CCN(S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)CC1.c1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1.c1ccc(C2=Nc3ccccc3C2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of [1,1,2,2,3,3-hexafluoro-3-[4-(2-oxocyclopentyl)piperazin-1-yl]sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;2-methylbutan-2-yl 4-hydroxypiperidine-1-carboxylate;2-morpholin-4-ylethyl dodecanoate;2-phenyl-3H-indole;2,4,5-triphenyl-1H-imidazole;triphenylsulfanium?

The InChIKey is RGSLYRGMZZPDKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2.C18H35NO3.C18H15S.C14H11N.C13H15F9N3O7S3.C11H21NO3/c1-4-10-16(11-5-1)19-20(17-12-6-2-7-13-17)23-21(22-19)18-14-8-3-9-15-18;1-2-3-4-5-6-7-8-9-10-11-18(20)22-17-14-19-12-15-21-16-13-19;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-6-11(7-3-1)14-10-12-8-4-5-9-13(12)15-14;14-10(15,11(16,17)33(27,28)23-34(29,30)13(20,21)22)12(18,19)35(31,32)25-6-4-24(5-7-25)8-2-1-3-9(8)26;1-4-11(2,3)15-10(14)12-7-5-9(13)6-8-12/h1-15H,(H,22,23);2-17H2,1H3;1-15H;1-9H,10H2;8H,1-7H2;9,13H,4-8H2,1-3H3/q;;+1;;-1;.

What are the key properties of [1,1,2,2,3,3-hexafluoro-3-[4-(2-oxocyclopentyl)piperazin-1-yl]sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;2-methylbutan-2-yl 4-hydroxypiperidine-1-carboxylate;2-morpholin-4-ylethyl dodecanoate;2-phenyl-3H-indole;2,4,5-triphenyl-1H-imidazole;triphenylsulfanium?

[1,1,2,2,3,3-hexafluoro-3-[4-(2-oxocyclopentyl)piperazin-1-yl]sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;2-methylbutan-2-yl 4-hydroxypiperidine-1-carboxylate;2-morpholin-4-ylethyl dodecanoate;2-phenyl-3H-indole;2,4,5-triphenyl-1H-imidazole;triphenylsulfanium has a molecular weight of 1874.24 g/mol, XLogP of 20.54, 30 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for [1,1,2,2,3,3-hexafluoro-3-[4-(2-oxocyclopentyl)piperazin-1-yl]sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;2-methylbutan-2-yl 4-hydroxypiperidine-1-carboxylate;2-morpholin-4-ylethyl dodecanoate;2-phenyl-3H-indole;2,4,5-triphenyl-1H-imidazole;triphenylsulfanium is sourced from PubChem (CID 160621209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).