azane;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide

C4H5F9N2O2S — CID 14661394

IUPACazane;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide
SMILESN.NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C4H2F9NO2S.H3N/c5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16;/h(H2,14,15,16);1H3
InChIKeyBKMIOEKCBQKTEY-UHFFFAOYSA-N
MW316.15 g/mol
LogP1.86
Rot. Bonds3

About azane;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide

azane;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide (PubChem CID 14661394) has the molecular formula C4H5F9N2O2S and a molecular weight of 316.15 g/mol. Its IUPAC name is azane;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide.

Molecular Properties

Compound Nameazane;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide
PubChem CID14661394
Molecular FormulaC4H5F9N2O2S
Molecular Weight316.15 g/mol
Exact Mass315.99
IUPAC Nameazane;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide
SMILESN.NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C4H2F9NO2S.H3N/c5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16;/h(H2,14,15,16);1H3
InChIKeyBKMIOEKCBQKTEY-UHFFFAOYSA-N
XLogP1.86
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.15
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 azane;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide?
The IUPAC name of azane;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide (CID 14661394) is azane;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide.
What is the SMILES notation for azane;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide?
The canonical SMILES for azane;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide is N.NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of azane;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide?
The InChIKey is BKMIOEKCBQKTEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2F9NO2S.H3N/c5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16;/h(H2,14,15,16);1H3.
What are the key properties of azane;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide?
azane;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide has a molecular weight of 316.15 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide is sourced from PubChem (CID 14661394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).