N-[(E)-but-2-enyl]-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide

C8H8F9NO2S — CID 129294982

IUPACN-[(E)-but-2-enyl]-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide
SMILESC/C=C/CNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H8F9NO2S/c1-2-3-4-18-21(19,20)8(16,17)6(11,12)5(9,10)7(13,14)15/h2-3,18H,4H2,1H3/b3-2+
InChIKeyRAGPENUOALJJFY-NSCUHMNNSA-N
MW353.21 g/mol
LogP2.91
Rot. Bonds6

About N-[(E)-but-2-enyl]-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide

N-[(E)-but-2-enyl]-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide (PubChem CID 129294982) has the molecular formula C8H8F9NO2S and a molecular weight of 353.21 g/mol. Its IUPAC name is N-[(E)-but-2-enyl]-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide.

Molecular Properties

Compound NameN-[(E)-but-2-enyl]-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide
PubChem CID129294982
Molecular FormulaC8H8F9NO2S
Molecular Weight353.21 g/mol
Exact Mass353.01
IUPAC NameN-[(E)-but-2-enyl]-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide
SMILESC/C=C/CNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H8F9NO2S/c1-2-3-4-18-21(19,20)8(16,17)6(11,12)5(9,10)7(13,14)15/h2-3,18H,4H2,1H3/b3-2+
InChIKeyRAGPENUOALJJFY-NSCUHMNNSA-N
XLogP2.91
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.21
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-but-2-enyl]-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide?
The IUPAC name of N-[(E)-but-2-enyl]-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide (CID 129294982) is N-[(E)-but-2-enyl]-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide.
What is the SMILES notation for N-[(E)-but-2-enyl]-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide?
The canonical SMILES for N-[(E)-but-2-enyl]-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide is C/C=C/CNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of N-[(E)-but-2-enyl]-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide?
The InChIKey is RAGPENUOALJJFY-NSCUHMNNSA-N. The full InChI is InChI=1S/C8H8F9NO2S/c1-2-3-4-18-21(19,20)8(16,17)6(11,12)5(9,10)7(13,14)15/h2-3,18H,4H2,1H3/b3-2+.
What are the key properties of N-[(E)-but-2-enyl]-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide?
N-[(E)-but-2-enyl]-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide has a molecular weight of 353.21 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-but-2-enyl]-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide is sourced from PubChem (CID 129294982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).