1,1,2,2,3,3-hexafluoro-N-(1,1,2,2,3,3-hexafluoro-3-piperidin-1-ylsulfonylpropyl)sulfonyl-3-piperidin-1-ylsulfonylpropane-1-sulfonamide

C16H21F12N3O8S4 — CID 89403286

IUPAC1,1,2,2,3,3-hexafluoro-N-(1,1,2,2,3,3-hexafluoro-3-piperidin-1-ylsulfonylpropyl)sulfonyl-3-piperidin-1-ylsulfonylpropane-1-sulfonamide
SMILESO=S(=O)(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)N1CCCCC1)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)N1CCCCC1
InChIInChI=1S/C16H21F12N3O8S4/c17-11(18,15(25,26)42(36,37)30-7-3-1-4-8-30)13(21,22)40(32,33)29-41(34,35)14(23,24)12(19,20)16(27,28)43(38,39)31-9-5-2-6-10-31/h29H,1-10H2
InChIKeyWAXJEMXJQQVBAB-UHFFFAOYSA-N
MW739.60 g/mol
LogP2.51
Rot. Bonds12

About 1,1,2,2,3,3-hexafluoro-N-(1,1,2,2,3,3-hexafluoro-3-piperidin-1-ylsulfonylpropyl)sulfonyl-3-piperidin-1-ylsulfonylpropane-1-sulfonamide

1,1,2,2,3,3-hexafluoro-N-(1,1,2,2,3,3-hexafluoro-3-piperidin-1-ylsulfonylpropyl)sulfonyl-3-piperidin-1-ylsulfonylpropane-1-sulfonamide (PubChem CID 89403286) has the molecular formula C16H21F12N3O8S4 and a molecular weight of 739.60 g/mol. Its IUPAC name is 1,1,2,2,3,3-hexafluoro-N-(1,1,2,2,3,3-hexafluoro-3-piperidin-1-ylsulfonylpropyl)sulfonyl-3-piperidin-1-ylsulfonylpropane-1-sulfonamide.

Molecular Properties

Compound Name1,1,2,2,3,3-hexafluoro-N-(1,1,2,2,3,3-hexafluoro-3-piperidin-1-ylsulfonylpropyl)sulfonyl-3-piperidin-1-ylsulfonylpropane-1-sulfonamide
PubChem CID89403286
Molecular FormulaC16H21F12N3O8S4
Molecular Weight739.60 g/mol
Exact Mass739.00
IUPAC Name1,1,2,2,3,3-hexafluoro-N-(1,1,2,2,3,3-hexafluoro-3-piperidin-1-ylsulfonylpropyl)sulfonyl-3-piperidin-1-ylsulfonylpropane-1-sulfonamide
SMILESO=S(=O)(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)N1CCCCC1)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)N1CCCCC1
InChIInChI=1S/C16H21F12N3O8S4/c17-11(18,15(25,26)42(36,37)30-7-3-1-4-8-30)13(21,22)40(32,33)29-41(34,35)14(23,24)12(19,20)16(27,28)43(38,39)31-9-5-2-6-10-31/h29H,1-10H2
InChIKeyWAXJEMXJQQVBAB-UHFFFAOYSA-N
XLogP2.51
TPSA155.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500739.60
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3-hexafluoro-N-(1,1,2,2,3,3-hexafluoro-3-piperidin-1-ylsulfonylpropyl)sulfonyl-3-piperidin-1-ylsulfonylpropane-1-sulfonamide?
The IUPAC name of 1,1,2,2,3,3-hexafluoro-N-(1,1,2,2,3,3-hexafluoro-3-piperidin-1-ylsulfonylpropyl)sulfonyl-3-piperidin-1-ylsulfonylpropane-1-sulfonamide (CID 89403286) is 1,1,2,2,3,3-hexafluoro-N-(1,1,2,2,3,3-hexafluoro-3-piperidin-1-ylsulfonylpropyl)sulfonyl-3-piperidin-1-ylsulfonylpropane-1-sulfonamide.
What is the SMILES notation for 1,1,2,2,3,3-hexafluoro-N-(1,1,2,2,3,3-hexafluoro-3-piperidin-1-ylsulfonylpropyl)sulfonyl-3-piperidin-1-ylsulfonylpropane-1-sulfonamide?
The canonical SMILES for 1,1,2,2,3,3-hexafluoro-N-(1,1,2,2,3,3-hexafluoro-3-piperidin-1-ylsulfonylpropyl)sulfonyl-3-piperidin-1-ylsulfonylpropane-1-sulfonamide is O=S(=O)(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)N1CCCCC1)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)N1CCCCC1.
What is the InChIKey of 1,1,2,2,3,3-hexafluoro-N-(1,1,2,2,3,3-hexafluoro-3-piperidin-1-ylsulfonylpropyl)sulfonyl-3-piperidin-1-ylsulfonylpropane-1-sulfonamide?
The InChIKey is WAXJEMXJQQVBAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F12N3O8S4/c17-11(18,15(25,26)42(36,37)30-7-3-1-4-8-30)13(21,22)40(32,33)29-41(34,35)14(23,24)12(19,20)16(27,28)43(38,39)31-9-5-2-6-10-31/h29H,1-10H2.
What are the key properties of 1,1,2,2,3,3-hexafluoro-N-(1,1,2,2,3,3-hexafluoro-3-piperidin-1-ylsulfonylpropyl)sulfonyl-3-piperidin-1-ylsulfonylpropane-1-sulfonamide?
1,1,2,2,3,3-hexafluoro-N-(1,1,2,2,3,3-hexafluoro-3-piperidin-1-ylsulfonylpropyl)sulfonyl-3-piperidin-1-ylsulfonylpropane-1-sulfonamide has a molecular weight of 739.60 g/mol, XLogP of 2.51, 12 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3-hexafluoro-N-(1,1,2,2,3,3-hexafluoro-3-piperidin-1-ylsulfonylpropyl)sulfonyl-3-piperidin-1-ylsulfonylpropane-1-sulfonamide is sourced from PubChem (CID 89403286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).