N-ethyl-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide

C6H6F9NO2S — CID 14661392

IUPACN-ethyl-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide
SMILESCCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H6F9NO2S/c1-2-16-19(17,18)6(14,15)4(9,10)3(7,8)5(11,12)13/h16H,2H2,1H3
InChIKeySSTPSALUCQWOOV-UHFFFAOYSA-N
MW327.17 g/mol
LogP2.35
Rot. Bonds5

About N-ethyl-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide

N-ethyl-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide (PubChem CID 14661392) has the molecular formula C6H6F9NO2S and a molecular weight of 327.17 g/mol. Its IUPAC name is N-ethyl-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide.

Molecular Properties

Compound NameN-ethyl-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide
PubChem CID14661392
Molecular FormulaC6H6F9NO2S
Molecular Weight327.17 g/mol
Exact Mass327.00
IUPAC NameN-ethyl-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide
SMILESCCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H6F9NO2S/c1-2-16-19(17,18)6(14,15)4(9,10)3(7,8)5(11,12)13/h16H,2H2,1H3
InChIKeySSTPSALUCQWOOV-UHFFFAOYSA-N
XLogP2.35
TPSA46.17 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 ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 N-ethyl-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide?
The IUPAC name of N-ethyl-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide (CID 14661392) is N-ethyl-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide.
What is the SMILES notation for N-ethyl-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide?
The canonical SMILES for N-ethyl-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide is CCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of N-ethyl-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide?
The InChIKey is SSTPSALUCQWOOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F9NO2S/c1-2-16-19(17,18)6(14,15)4(9,10)3(7,8)5(11,12)13/h16H,2H2,1H3.
What are the key properties of N-ethyl-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide?
N-ethyl-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide has a molecular weight of 327.17 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide is sourced from PubChem (CID 14661392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).