[1,1,2,2,3,3-hexafluoro-3-(4-piperidin-1-ylphenoxy)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide

C15H14F9N2O7S3- — CID 59302261

IUPAC[1,1,2,2,3,3-hexafluoro-3-(4-piperidin-1-ylphenoxy)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide
SMILESO=S(=O)([N-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)Oc1ccc(N2CCCCC2)cc1)C(F)(F)F
InChIInChI=1S/C15H14F9N2O7S3/c16-12(17,13(18,19)34(27,28)25-35(29,30)15(22,23)24)14(20,21)36(31,32)33-11-6-4-10(5-7-11)26-8-2-1-3-9-26/h4-7H,1-3,8-9H2/q-1
InChIKeyPCOAOLGSMCHLDS-UHFFFAOYSA-N
MW601.47 g/mol
LogP3.76
Rot. Bonds9

About [1,1,2,2,3,3-hexafluoro-3-(4-piperidin-1-ylphenoxy)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide

[1,1,2,2,3,3-hexafluoro-3-(4-piperidin-1-ylphenoxy)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide (PubChem CID 59302261) has the molecular formula C15H14F9N2O7S3- and a molecular weight of 601.47 g/mol. Its IUPAC name is [1,1,2,2,3,3-hexafluoro-3-(4-piperidin-1-ylphenoxy)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide.

Molecular Properties

Compound Name[1,1,2,2,3,3-hexafluoro-3-(4-piperidin-1-ylphenoxy)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide
PubChem CID59302261
Molecular FormulaC15H14F9N2O7S3-
Molecular Weight601.47 g/mol
Exact Mass600.98
IUPAC Name[1,1,2,2,3,3-hexafluoro-3-(4-piperidin-1-ylphenoxy)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide
SMILESO=S(=O)([N-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)Oc1ccc(N2CCCCC2)cc1)C(F)(F)F
InChIInChI=1S/C15H14F9N2O7S3/c16-12(17,13(18,19)34(27,28)25-35(29,30)15(22,23)24)14(20,21)36(31,32)33-11-6-4-10(5-7-11)26-8-2-1-3-9-26/h4-7H,1-3,8-9H2/q-1
InChIKeyPCOAOLGSMCHLDS-UHFFFAOYSA-N
XLogP3.76
TPSA128.99 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500601.47
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Analyze [1,1,2,2,3,3-hexafluoro-3-(4-piperidin-1-ylphenoxy)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-piperidin-1-ylphenyl) 1,1,2,2,3,3-hexafluoro-3-(trifluoromethylsulfonylsulfamoyl)propane-1-sulfonate
CID 59302262
[4-(4-morpholin-4-ylphenyl)phenyl] trifluoromethanesulfonate
CID 86600253
[2-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2-tetrafluoroethyl]sulfonyl-(trifluoromethylsulfonyl)azanide
CID 58031038
1-[3-(trifluoromethylsulfonyl)phenyl]piperidine
CID 67355802
1,16-diazatricyclo[14.14.4.231,34]hexatriaconta-31,33,35-triene
CID 177496449
1,1,2,2,3,3-hexafluoro-3-(4-methylphenoxy)sulfonylpropane-1-sulfonic acid
CID 58364139
1-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyrrolidine
CID 168512748
1-(4-methoxyphenyl)piperidine
CID 10130315
1-(4-piperidin-1-ylphenyl)piperidin-4-ol
CID 82090298
1-(4-methoxyphenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperazine
CID 1168311
lithium [2-(4-ethenylphenoxy)-1,1,2,2-tetrafluoroethyl]sulfonyl-(trifluoromethylsulfonyl)azanide
CID 101090951
1-(4-cyclopentyloxyphenyl)-4-(trifluoromethylsulfonyl)piperazine
CID 91265545

Frequently Asked Questions

What is the IUPAC name of [1,1,2,2,3,3-hexafluoro-3-(4-piperidin-1-ylphenoxy)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide?
The IUPAC name of [1,1,2,2,3,3-hexafluoro-3-(4-piperidin-1-ylphenoxy)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide (CID 59302261) is [1,1,2,2,3,3-hexafluoro-3-(4-piperidin-1-ylphenoxy)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide.
What is the SMILES notation for [1,1,2,2,3,3-hexafluoro-3-(4-piperidin-1-ylphenoxy)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide?
The canonical SMILES for [1,1,2,2,3,3-hexafluoro-3-(4-piperidin-1-ylphenoxy)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide is O=S(=O)([N-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)Oc1ccc(N2CCCCC2)cc1)C(F)(F)F.
What is the InChIKey of [1,1,2,2,3,3-hexafluoro-3-(4-piperidin-1-ylphenoxy)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide?
The InChIKey is PCOAOLGSMCHLDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F9N2O7S3/c16-12(17,13(18,19)34(27,28)25-35(29,30)15(22,23)24)14(20,21)36(31,32)33-11-6-4-10(5-7-11)26-8-2-1-3-9-26/h4-7H,1-3,8-9H2/q-1.
What are the key properties of [1,1,2,2,3,3-hexafluoro-3-(4-piperidin-1-ylphenoxy)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide?
[1,1,2,2,3,3-hexafluoro-3-(4-piperidin-1-ylphenoxy)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide has a molecular weight of 601.47 g/mol, XLogP of 3.76, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1,1,2,2,3,3-hexafluoro-3-(4-piperidin-1-ylphenoxy)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide is sourced from PubChem (CID 59302261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).