1,1,1,3,3,3-hexafluoropropan-2-yl 4-[[[2-(trifluoromethyl)phenyl]sulfonylamino]methyl]piperidine-1-carboxylate

C17H17F9N2O4S — CID 89483571

IUPAC1,1,1,3,3,3-hexafluoropropan-2-yl 4-[[[2-(trifluoromethyl)phenyl]sulfonylamino]methyl]piperidine-1-carboxylate
SMILESO=C(OC(C(F)(F)F)C(F)(F)F)N1CCC(CNS(=O)(=O)c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C17H17F9N2O4S/c18-15(19,20)11-3-1-2-4-12(11)33(30,31)27-9-10-5-7-28(8-6-10)14(29)32-13(16(21,22)23)17(24,25)26/h1-4,10,13,27H,5-9H2
InChIKeyCTDYEEOTJAKIOE-UHFFFAOYSA-N
MW516.38 g/mol
LogP4.33
Rot. Bonds5

About 1,1,1,3,3,3-hexafluoropropan-2-yl 4-[[[2-(trifluoromethyl)phenyl]sulfonylamino]methyl]piperidine-1-carboxylate

1,1,1,3,3,3-hexafluoropropan-2-yl 4-[[[2-(trifluoromethyl)phenyl]sulfonylamino]methyl]piperidine-1-carboxylate (PubChem CID 89483571) has the molecular formula C17H17F9N2O4S and a molecular weight of 516.38 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoropropan-2-yl 4-[[[2-(trifluoromethyl)phenyl]sulfonylamino]methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoropropan-2-yl 4-[[[2-(trifluoromethyl)phenyl]sulfonylamino]methyl]piperidine-1-carboxylate
PubChem CID89483571
Molecular FormulaC17H17F9N2O4S
Molecular Weight516.38 g/mol
Exact Mass516.08
IUPAC Name1,1,1,3,3,3-hexafluoropropan-2-yl 4-[[[2-(trifluoromethyl)phenyl]sulfonylamino]methyl]piperidine-1-carboxylate
SMILESO=C(OC(C(F)(F)F)C(F)(F)F)N1CCC(CNS(=O)(=O)c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C17H17F9N2O4S/c18-15(19,20)11-3-1-2-4-12(11)33(30,31)27-9-10-5-7-28(8-6-10)14(29)32-13(16(21,22)23)17(24,25)26/h1-4,10,13,27H,5-9H2
InChIKeyCTDYEEOTJAKIOE-UHFFFAOYSA-N
XLogP4.33
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.38
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1,1,1,3,3,3-hexafluoropropan-2-yl 4-[[[2-(trifluoromethyl)phenyl]sulfonylamino]methyl]piperidine-1-carboxylate with MolForge

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Related Compounds

1,1,1,3,3,3-hexafluoropropan-2-yl 4-(benzenesulfonamidomethyl)piperidine-1-carboxylate
CID 89480812
1,1,1,3,3,3-hexafluoropropan-2-yl 4-[[(2,5-dimethoxyphenyl)sulfonylamino]methyl]piperidine-1-carboxylate
CID 89480803
1,1,1,3,3,3-hexafluoropropan-2-yl 4-benzylpiperidine-1-carboxylate
CID 89480931
ethyl 4-[[(2S)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanoyl]amino]piperidine-1-carboxylate
CID 31339737
tert-butyl 4-[[2-(trifluoromethyl)phenyl]sulfonylamino]piperidine-1-carboxylate
CID 55987776
N-(2-cyclopropyl-2-hydroxyethyl)-2-(trifluoromethyl)benzenesulfonamide
CID 63298637
1,1,1,3,3,3-hexafluoropropan-2-yl 4-[2-(4-methoxycarbonylphenyl)sulfonylethyl]piperidine-1-carboxylate
CID 164953315
N-ethyl-2-(trifluoromethyl)benzenesulfonamide
CID 43212836
N-[(2S)-1-oxo-1-[4-(propylsulfonylamino)piperidin-1-yl]propan-2-yl]-2-(trifluoromethyl)benzenesulfonamide
CID 55939135
1,1,1,3,3,3-hexafluoropropan-2-yl 4-[2-[(4-sulfamoylbenzoyl)amino]ethyl]piperidine-1-carboxylate
CID 89480758
N-[(2-bromocyclopentyl)methyl]-2-(trifluoromethyl)benzenesulfonamide
CID 114293669
1,1,1,3,3,3-hexafluoropropan-2-yl 3-[(naphthalen-1-ylsulfinylamino)methyl]pyrrolidine-1-carboxylate
CID 123626547

Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoropropan-2-yl 4-[[[2-(trifluoromethyl)phenyl]sulfonylamino]methyl]piperidine-1-carboxylate?
The IUPAC name of 1,1,1,3,3,3-hexafluoropropan-2-yl 4-[[[2-(trifluoromethyl)phenyl]sulfonylamino]methyl]piperidine-1-carboxylate (CID 89483571) is 1,1,1,3,3,3-hexafluoropropan-2-yl 4-[[[2-(trifluoromethyl)phenyl]sulfonylamino]methyl]piperidine-1-carboxylate.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoropropan-2-yl 4-[[[2-(trifluoromethyl)phenyl]sulfonylamino]methyl]piperidine-1-carboxylate?
The canonical SMILES for 1,1,1,3,3,3-hexafluoropropan-2-yl 4-[[[2-(trifluoromethyl)phenyl]sulfonylamino]methyl]piperidine-1-carboxylate is O=C(OC(C(F)(F)F)C(F)(F)F)N1CCC(CNS(=O)(=O)c2ccccc2C(F)(F)F)CC1.
What is the InChIKey of 1,1,1,3,3,3-hexafluoropropan-2-yl 4-[[[2-(trifluoromethyl)phenyl]sulfonylamino]methyl]piperidine-1-carboxylate?
The InChIKey is CTDYEEOTJAKIOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F9N2O4S/c18-15(19,20)11-3-1-2-4-12(11)33(30,31)27-9-10-5-7-28(8-6-10)14(29)32-13(16(21,22)23)17(24,25)26/h1-4,10,13,27H,5-9H2.
What are the key properties of 1,1,1,3,3,3-hexafluoropropan-2-yl 4-[[[2-(trifluoromethyl)phenyl]sulfonylamino]methyl]piperidine-1-carboxylate?
1,1,1,3,3,3-hexafluoropropan-2-yl 4-[[[2-(trifluoromethyl)phenyl]sulfonylamino]methyl]piperidine-1-carboxylate has a molecular weight of 516.38 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoropropan-2-yl 4-[[[2-(trifluoromethyl)phenyl]sulfonylamino]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 89483571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).