N,N-diethyl-1,1,2,2,3,3,4,4,5-nonafluorohexane-1-sulfonamide

C10H14F9NO2S — CID 19813951

IUPACN,N-diethyl-1,1,2,2,3,3,4,4,5-nonafluorohexane-1-sulfonamide
SMILESCCN(CC)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(C)F
InChIInChI=1S/C10H14F9NO2S/c1-4-20(5-2)23(21,22)10(18,19)9(16,17)8(14,15)7(12,13)6(3)11/h6H,4-5H2,1-3H3
InChIKeyHIHRJGYTEPXXJY-UHFFFAOYSA-N
MW383.28 g/mol
LogP3.51
Rot. Bonds8

About N,N-diethyl-1,1,2,2,3,3,4,4,5-nonafluorohexane-1-sulfonamide

N,N-diethyl-1,1,2,2,3,3,4,4,5-nonafluorohexane-1-sulfonamide (PubChem CID 19813951) has the molecular formula C10H14F9NO2S and a molecular weight of 383.28 g/mol. Its IUPAC name is N,N-diethyl-1,1,2,2,3,3,4,4,5-nonafluorohexane-1-sulfonamide.

Molecular Properties

Compound NameN,N-diethyl-1,1,2,2,3,3,4,4,5-nonafluorohexane-1-sulfonamide
PubChem CID19813951
Molecular FormulaC10H14F9NO2S
Molecular Weight383.28 g/mol
Exact Mass383.06
IUPAC NameN,N-diethyl-1,1,2,2,3,3,4,4,5-nonafluorohexane-1-sulfonamide
SMILESCCN(CC)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(C)F
InChIInChI=1S/C10H14F9NO2S/c1-4-20(5-2)23(21,22)10(18,19)9(16,17)8(14,15)7(12,13)6(3)11/h6H,4-5H2,1-3H3
InChIKeyHIHRJGYTEPXXJY-UHFFFAOYSA-N
XLogP3.51
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.28
LogP ≤ 53.51
H-Bond Donors ≤ 50
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,N-diethyl-1,1,2,2,3,3,4,4,5-nonafluorohexane-1-sulfonamide?
The IUPAC name of N,N-diethyl-1,1,2,2,3,3,4,4,5-nonafluorohexane-1-sulfonamide (CID 19813951) is N,N-diethyl-1,1,2,2,3,3,4,4,5-nonafluorohexane-1-sulfonamide.
What is the SMILES notation for N,N-diethyl-1,1,2,2,3,3,4,4,5-nonafluorohexane-1-sulfonamide?
The canonical SMILES for N,N-diethyl-1,1,2,2,3,3,4,4,5-nonafluorohexane-1-sulfonamide is CCN(CC)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(C)F.
What is the InChIKey of N,N-diethyl-1,1,2,2,3,3,4,4,5-nonafluorohexane-1-sulfonamide?
The InChIKey is HIHRJGYTEPXXJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F9NO2S/c1-4-20(5-2)23(21,22)10(18,19)9(16,17)8(14,15)7(12,13)6(3)11/h6H,4-5H2,1-3H3.
What are the key properties of N,N-diethyl-1,1,2,2,3,3,4,4,5-nonafluorohexane-1-sulfonamide?
N,N-diethyl-1,1,2,2,3,3,4,4,5-nonafluorohexane-1-sulfonamide has a molecular weight of 383.28 g/mol, XLogP of 3.51, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1,1,2,2,3,3,4,4,5-nonafluorohexane-1-sulfonamide is sourced from PubChem (CID 19813951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).