[difluoro-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylmethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[difluoro-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]sulfonylmethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[1,1,2,2,3,3-hexafluoro-3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[3-[1-[2-methyl-3,5-di(propan-2-yl)phenyl]ethyl]phenyl]-diphenylsulfanium;1,2,4-trimethylbenzene;tetrakis(triphenylsulfanium)

C145H147F22N9O22S14+2 — CID 163412004

IUPAC[difluoro-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylmethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[difluoro-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]sulfonylmethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[1,1,2,2,3,3-hexafluoro-3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[3-[1-[2-methyl-3,5-di(propan-2-yl)phenyl]ethyl]phenyl]-diphenylsulfanium;1,2,4-trimethylbenzene;tetrakis(triphenylsulfanium)
SMILESCc1c(C(C)C)cc(C(C)C)cc1C(C)c1cccc([S+](c2ccccc2)c2ccccc2)c1.Cc1ccc(C)c(C)c1.O=C1OCCC1N1CCN(S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)CC1.O=C1OCCC1N1CCN(S(=O)(=O)C(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)CC1.O=S(=O)([N-]S(=O)(=O)C(F)(F)S(=O)(=O)N1CCN(CCC(F)(F)F)CC1)C(F)(F)F.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C33H37S.4C18H15S.C12H13F9N3O8S3.C10H13F5N3O8S3.C9H12F8N3O6S3.C9H12/c1-23(2)28-21-32(24(3)4)26(6)33(22-28)25(5)27-14-13-19-31(20-27)34(29-15-9-7-10-16-29)30-17-11-8-12-18-30;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;13-9(14,10(15,16)33(26,27)22-34(28,29)12(19,20)21)11(17,18)35(30,31)24-4-2-23(3-5-24)7-1-6-32-8(7)25;11-9(12,13)27(20,21)16-28(22,23)10(14,15)29(24,25)18-4-2-17(3-5-18)7-1-6-26-8(7)19;10-7(11,12)1-2-19-3-5-20(6-4-19)29(25,26)9(16,17)28(23,24)18-27(21,22)8(13,14)15;1-7-4-5-8(2)9(3)6-7/h7-25H,1-6H3;4*1-15H;7H,1-6H2;7H,1-6H2;1-6H2;4-6H,1-3H3/q5*+1;3*-1;
InChIKeyABHIFRZLPUAQKK-UHFFFAOYSA-N
MW3234.71 g/mol
LogP32.19
Rot. Bonds40

About [difluoro-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylmethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[difluoro-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]sulfonylmethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[1,1,2,2,3,3-hexafluoro-3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[3-[1-[2-methyl-3,5-di(propan-2-yl)phenyl]ethyl]phenyl]-diphenylsulfanium;1,2,4-trimethylbenzene;tetrakis(triphenylsulfanium)

[difluoro-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylmethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[difluoro-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]sulfonylmethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[1,1,2,2,3,3-hexafluoro-3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[3-[1-[2-methyl-3,5-di(propan-2-yl)phenyl]ethyl]phenyl]-diphenylsulfanium;1,2,4-trimethylbenzene;tetrakis(triphenylsulfanium) (PubChem CID 163412004) has the molecular formula C145H147F22N9O22S14+2 and a molecular weight of 3234.71 g/mol. Its IUPAC name is [difluoro-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylmethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[difluoro-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]sulfonylmethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[1,1,2,2,3,3-hexafluoro-3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[3-[1-[2-methyl-3,5-di(propan-2-yl)phenyl]ethyl]phenyl]-diphenylsulfanium;1,2,4-trimethylbenzene;tetrakis(triphenylsulfanium).

Molecular Properties

Compound Name[difluoro-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylmethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[difluoro-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]sulfonylmethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[1,1,2,2,3,3-hexafluoro-3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[3-[1-[2-methyl-3,5-di(propan-2-yl)phenyl]ethyl]phenyl]-diphenylsulfanium;1,2,4-trimethylbenzene;tetrakis(triphenylsulfanium)
PubChem CID163412004
Molecular FormulaC145H147F22N9O22S14+2
Molecular Weight3234.71 g/mol
Exact Mass3231.64
IUPAC Name[difluoro-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylmethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[difluoro-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]sulfonylmethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[1,1,2,2,3,3-hexafluoro-3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[3-[1-[2-methyl-3,5-di(propan-2-yl)phenyl]ethyl]phenyl]-diphenylsulfanium;1,2,4-trimethylbenzene;tetrakis(triphenylsulfanium)
SMILESCc1c(C(C)C)cc(C(C)C)cc1C(C)c1cccc([S+](c2ccccc2)c2ccccc2)c1.Cc1ccc(C)c(C)c1.O=C1OCCC1N1CCN(S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)CC1.O=C1OCCC1N1CCN(S(=O)(=O)C(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)CC1.O=S(=O)([N-]S(=O)(=O)C(F)(F)S(=O)(=O)N1CCN(CCC(F)(F)F)CC1)C(F)(F)F.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C33H37S.4C18H15S.C12H13F9N3O8S3.C10H13F5N3O8S3.C9H12F8N3O6S3.C9H12/c1-23(2)28-21-32(24(3)4)26(6)33(22-28)25(5)27-14-13-19-31(20-27)34(29-15-9-7-10-16-29)30-17-11-8-12-18-30;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;13-9(14,10(15,16)33(26,27)22-34(28,29)12(19,20)21)11(17,18)35(30,31)24-4-2-23(3-5-24)7-1-6-32-8(7)25;11-9(12,13)27(20,21)16-28(22,23)10(14,15)29(24,25)18-4-2-17(3-5-18)7-1-6-26-8(7)19;10-7(11,12)1-2-19-3-5-20(6-4-19)29(25,26)9(16,17)28(23,24)18-27(21,22)8(13,14)15;1-7-4-5-8(2)9(3)6-7/h7-25H,1-6H3;4*1-15H;7H,1-6H2;7H,1-6H2;1-6H2;4-6H,1-3H3/q5*+1;3*-1;
InChIKeyABHIFRZLPUAQKK-UHFFFAOYSA-N
XLogP32.19
TPSA421.60 Ų
H-Bond Donors
H-Bond Acceptors25
Rotatable Bonds40
Heavy Atoms212
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003234.71
LogP ≤ 532.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

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

Analyze [difluoro-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylmethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[difluoro-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]sulfonylmethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[1,1,2,2,3,3-hexafluoro-3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[3-[1-[2-methyl-3,5-di(propan-2-yl)phenyl]ethyl]phenyl]-diphenylsulfanium;1,2,4-trimethylbenzene;tetrakis(triphenylsulfanium) with MolForge

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Related Compounds

3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonic acid;diphenyl-[3-(piperidin-1-ylmethyl)phenyl]sulfanium;[1,1,2,2,3,3-hexafluoro-3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropyl]sulfonyl-methylsulfonylazanide;triphenylsulfanium
CID 158476041
2-(Adamantane-1-carbonyloxy)ethanesulfonate;[difluoro-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylmethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[difluoro-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]sulfonylmethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;2-methyl-1,3,5-tri(propan-2-yl)benzene;4-oxoadamantane-1-sulfonate;1,2,4-trimethylbenzene;hexakis(triphenylsulfanium)
CID 159648773
2-(1-Adamantylmethoxy)-1,1-difluoro-2-oxoethanesulfonic acid;(4-cyclohexylphenyl)-diphenylsulfanium;bis([1,1,2,2,3,3-hexafluoro-3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropyl]sulfonyl-methylsulfonylazanide);bis(triphenylsulfanium)
CID 160697409
Adamantane-1-carboxylate;2-(1-adamantyloxy)-2-oxoacetate;3,3-difluorobutanoate;[difluoro-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylmethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[difluoro-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]sulfonylmethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;2,4-dimethyl-1,3,5-tri(propan-2-yl)benzene;[1,1,2,2,3,3-hexafluoro-3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;4-oxoadamantane-1-sulfonate;1,2,4-trimethylbenzene;nonakis(triphenylsulfanium)
CID 163520593

Frequently Asked Questions

What is the IUPAC name of [difluoro-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylmethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[difluoro-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]sulfonylmethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[1,1,2,2,3,3-hexafluoro-3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[3-[1-[2-methyl-3,5-di(propan-2-yl)phenyl]ethyl]phenyl]-diphenylsulfanium;1,2,4-trimethylbenzene;tetrakis(triphenylsulfanium)?
The IUPAC name of [difluoro-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylmethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[difluoro-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]sulfonylmethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[1,1,2,2,3,3-hexafluoro-3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[3-[1-[2-methyl-3,5-di(propan-2-yl)phenyl]ethyl]phenyl]-diphenylsulfanium;1,2,4-trimethylbenzene;tetrakis(triphenylsulfanium) (CID 163412004) is [difluoro-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylmethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[difluoro-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]sulfonylmethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[1,1,2,2,3,3-hexafluoro-3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[3-[1-[2-methyl-3,5-di(propan-2-yl)phenyl]ethyl]phenyl]-diphenylsulfanium;1,2,4-trimethylbenzene;tetrakis(triphenylsulfanium).
What is the SMILES notation for [difluoro-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylmethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[difluoro-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]sulfonylmethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[1,1,2,2,3,3-hexafluoro-3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[3-[1-[2-methyl-3,5-di(propan-2-yl)phenyl]ethyl]phenyl]-diphenylsulfanium;1,2,4-trimethylbenzene;tetrakis(triphenylsulfanium)?
The canonical SMILES for [difluoro-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylmethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[difluoro-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]sulfonylmethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[1,1,2,2,3,3-hexafluoro-3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[3-[1-[2-methyl-3,5-di(propan-2-yl)phenyl]ethyl]phenyl]-diphenylsulfanium;1,2,4-trimethylbenzene;tetrakis(triphenylsulfanium) is Cc1c(C(C)C)cc(C(C)C)cc1C(C)c1cccc([S+](c2ccccc2)c2ccccc2)c1.Cc1ccc(C)c(C)c1.O=C1OCCC1N1CCN(S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)CC1.O=C1OCCC1N1CCN(S(=O)(=O)C(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)CC1.O=S(=O)([N-]S(=O)(=O)C(F)(F)S(=O)(=O)N1CCN(CCC(F)(F)F)CC1)C(F)(F)F.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of [difluoro-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylmethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[difluoro-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]sulfonylmethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[1,1,2,2,3,3-hexafluoro-3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[3-[1-[2-methyl-3,5-di(propan-2-yl)phenyl]ethyl]phenyl]-diphenylsulfanium;1,2,4-trimethylbenzene;tetrakis(triphenylsulfanium)?
The InChIKey is ABHIFRZLPUAQKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H37S.4C18H15S.C12H13F9N3O8S3.C10H13F5N3O8S3.C9H12F8N3O6S3.C9H12/c1-23(2)28-21-32(24(3)4)26(6)33(22-28)25(5)27-14-13-19-31(20-27)34(29-15-9-7-10-16-29)30-17-11-8-12-18-30;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;13-9(14,10(15,16)33(26,27)22-34(28,29)12(19,20)21)11(17,18)35(30,31)24-4-2-23(3-5-24)7-1-6-32-8(7)25;11-9(12,13)27(20,21)16-28(22,23)10(14,15)29(24,25)18-4-2-17(3-5-18)7-1-6-26-8(7)19;10-7(11,12)1-2-19-3-5-20(6-4-19)29(25,26)9(16,17)28(23,24)18-27(21,22)8(13,14)15;1-7-4-5-8(2)9(3)6-7/h7-25H,1-6H3;4*1-15H;7H,1-6H2;7H,1-6H2;1-6H2;4-6H,1-3H3/q5*+1;3*-1;.
What are the key properties of [difluoro-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylmethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[difluoro-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]sulfonylmethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[1,1,2,2,3,3-hexafluoro-3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[3-[1-[2-methyl-3,5-di(propan-2-yl)phenyl]ethyl]phenyl]-diphenylsulfanium;1,2,4-trimethylbenzene;tetrakis(triphenylsulfanium)?
[difluoro-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylmethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[difluoro-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]sulfonylmethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[1,1,2,2,3,3-hexafluoro-3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[3-[1-[2-methyl-3,5-di(propan-2-yl)phenyl]ethyl]phenyl]-diphenylsulfanium;1,2,4-trimethylbenzene;tetrakis(triphenylsulfanium) has a molecular weight of 3234.71 g/mol, XLogP of 32.19, 40 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for [difluoro-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylmethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[difluoro-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]sulfonylmethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[1,1,2,2,3,3-hexafluoro-3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[3-[1-[2-methyl-3,5-di(propan-2-yl)phenyl]ethyl]phenyl]-diphenylsulfanium;1,2,4-trimethylbenzene;tetrakis(triphenylsulfanium) is sourced from PubChem (CID 163412004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).