3,3,4,4,5,5,6,6,6-nonafluorohexane-1-sulfonamide

C6H6F9NO2S — CID 45278078

IUPAC3,3,4,4,5,5,6,6,6-nonafluorohexane-1-sulfonamide
SMILESNS(=O)(=O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H6F9NO2S/c7-3(8,1-2-19(16,17)18)4(9,10)5(11,12)6(13,14)15/h1-2H2,(H2,16,17,18)
InChIKeyKKHMBQUHTGIUDQ-UHFFFAOYSA-N
MW327.17 g/mol
LogP2.13
Rot. Bonds5

About 3,3,4,4,5,5,6,6,6-nonafluorohexane-1-sulfonamide

3,3,4,4,5,5,6,6,6-nonafluorohexane-1-sulfonamide (PubChem CID 45278078) has the molecular formula C6H6F9NO2S and a molecular weight of 327.17 g/mol. Its IUPAC name is 3,3,4,4,5,5,6,6,6-nonafluorohexane-1-sulfonamide.

Molecular Properties

Compound Name3,3,4,4,5,5,6,6,6-nonafluorohexane-1-sulfonamide
PubChem CID45278078
Molecular FormulaC6H6F9NO2S
Molecular Weight327.17 g/mol
Exact Mass327.00
IUPAC Name3,3,4,4,5,5,6,6,6-nonafluorohexane-1-sulfonamide
SMILESNS(=O)(=O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H6F9NO2S/c7-3(8,1-2-19(16,17)18)4(9,10)5(11,12)6(13,14)15/h1-2H2,(H2,16,17,18)
InChIKeyKKHMBQUHTGIUDQ-UHFFFAOYSA-N
XLogP2.13
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.17
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctane-1-sulfonamide
CID 11669093
8:2 Fluorotelomer sulfonamide
CID 11504645
1-Hexanesulfonyl chloride, 3,3,4,4,5,5,6,6,6-nonafluoro-
CID 119684
3,3,3-Trifluoropropane-1-sulfonamide
CID 45790444
2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Pentadecafluoro-1-octanesulfonamide
CID 165362507
4:2 Fluorotelomer sulfonate
CID 20734542
4,4,4-Trifluorobutane-1-sulfonamide
CID 22725686
Sodium;3,3,4,4,5,5,6,6,6-nonafluorohexane-1-sulfonate
CID 155817542
4,4-Difluoropentane-1-sulfonamide
CID 132312933
4,4,5,5,5-Pentafluoropentane-1-sulfonamide
CID 165882294
3,3,3-Trifluoro-2-(trifluoromethyl)propane-1-sulfonamide
CID 103311336
1,1,1,3,3,3-Hexafluoropropane-2-sulfonamide
CID 165867610

Frequently Asked Questions

What is the IUPAC name of 3,3,4,4,5,5,6,6,6-nonafluorohexane-1-sulfonamide?
The IUPAC name of 3,3,4,4,5,5,6,6,6-nonafluorohexane-1-sulfonamide (CID 45278078) is 3,3,4,4,5,5,6,6,6-nonafluorohexane-1-sulfonamide.
What is the SMILES notation for 3,3,4,4,5,5,6,6,6-nonafluorohexane-1-sulfonamide?
The canonical SMILES for 3,3,4,4,5,5,6,6,6-nonafluorohexane-1-sulfonamide is NS(=O)(=O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 3,3,4,4,5,5,6,6,6-nonafluorohexane-1-sulfonamide?
The InChIKey is KKHMBQUHTGIUDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F9NO2S/c7-3(8,1-2-19(16,17)18)4(9,10)5(11,12)6(13,14)15/h1-2H2,(H2,16,17,18).
What are the key properties of 3,3,4,4,5,5,6,6,6-nonafluorohexane-1-sulfonamide?
3,3,4,4,5,5,6,6,6-nonafluorohexane-1-sulfonamide has a molecular weight of 327.17 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4,5,5,6,6,6-nonafluorohexane-1-sulfonamide is sourced from PubChem (CID 45278078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).