N-ethyl-1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonamide

C7H6F11NO2S — CID 19931110

IUPACN-ethyl-1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonamide
SMILESCCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H6F11NO2S/c1-2-19-22(20,21)7(17,18)5(12,13)3(8,9)4(10,11)6(14,15)16/h19H,2H2,1H3
InChIKeyRUIVGYDYVAXAHW-UHFFFAOYSA-N
MW377.18 g/mol
LogP2.99
Rot. Bonds6

About N-ethyl-1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonamide

N-ethyl-1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonamide (PubChem CID 19931110) has the molecular formula C7H6F11NO2S and a molecular weight of 377.18 g/mol. Its IUPAC name is N-ethyl-1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonamide.

Molecular Properties

Compound NameN-ethyl-1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonamide
PubChem CID19931110
Molecular FormulaC7H6F11NO2S
Molecular Weight377.18 g/mol
Exact Mass376.99
IUPAC NameN-ethyl-1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonamide
SMILESCCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H6F11NO2S/c1-2-19-22(20,21)7(17,18)5(12,13)3(8,9)4(10,11)6(14,15)16/h19H,2H2,1H3
InChIKeyRUIVGYDYVAXAHW-UHFFFAOYSA-N
XLogP2.99
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.18
LogP ≤ 52.99
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-1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonamide?
The IUPAC name of N-ethyl-1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonamide (CID 19931110) is N-ethyl-1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonamide.
What is the SMILES notation for N-ethyl-1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonamide?
The canonical SMILES for N-ethyl-1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonamide is CCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of N-ethyl-1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonamide?
The InChIKey is RUIVGYDYVAXAHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F11NO2S/c1-2-19-22(20,21)7(17,18)5(12,13)3(8,9)4(10,11)6(14,15)16/h19H,2H2,1H3.
What are the key properties of N-ethyl-1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonamide?
N-ethyl-1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonamide has a molecular weight of 377.18 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonamide is sourced from PubChem (CID 19931110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).