1,1,2,2,3,3,4,4,4-nonafluoro-N-undeca-4,5-dienylbutane-1-sulfonamide

C15H20F9NO2S — CID 102467259

IUPAC1,1,2,2,3,3,4,4,4-nonafluoro-N-undeca-4,5-dienylbutane-1-sulfonamide
SMILESCCCCCC=C=CCCCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C15H20F9NO2S/c1-2-3-4-5-6-7-8-9-10-11-25-28(26,27)15(23,24)13(18,19)12(16,17)14(20,21)22/h6,8,25H,2-5,9-11H2,1H3
InChIKeyYWMRHNJCRFIWAN-UHFFFAOYSA-N
MW449.38 g/mol
LogP5.40
Rot. Bonds12

About 1,1,2,2,3,3,4,4,4-nonafluoro-N-undeca-4,5-dienylbutane-1-sulfonamide

1,1,2,2,3,3,4,4,4-nonafluoro-N-undeca-4,5-dienylbutane-1-sulfonamide (PubChem CID 102467259) has the molecular formula C15H20F9NO2S and a molecular weight of 449.38 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4,4-nonafluoro-N-undeca-4,5-dienylbutane-1-sulfonamide.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4,4-nonafluoro-N-undeca-4,5-dienylbutane-1-sulfonamide
PubChem CID102467259
Molecular FormulaC15H20F9NO2S
Molecular Weight449.38 g/mol
Exact Mass449.11
IUPAC Name1,1,2,2,3,3,4,4,4-nonafluoro-N-undeca-4,5-dienylbutane-1-sulfonamide
SMILESCCCCCC=C=CCCCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C15H20F9NO2S/c1-2-3-4-5-6-7-8-9-10-11-25-28(26,27)15(23,24)13(18,19)12(16,17)14(20,21)22/h6,8,25H,2-5,9-11H2,1H3
InChIKeyYWMRHNJCRFIWAN-UHFFFAOYSA-N
XLogP5.40
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.38
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1,1,2,2,3,3,4,4,4-nonafluoro-N-undeca-4,5-dienylbutane-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3,4,4,4-nonafluoro-N-undeca-4,5-dienylbutane-1-sulfonamide?
The IUPAC name of 1,1,2,2,3,3,4,4,4-nonafluoro-N-undeca-4,5-dienylbutane-1-sulfonamide (CID 102467259) is 1,1,2,2,3,3,4,4,4-nonafluoro-N-undeca-4,5-dienylbutane-1-sulfonamide.
What is the SMILES notation for 1,1,2,2,3,3,4,4,4-nonafluoro-N-undeca-4,5-dienylbutane-1-sulfonamide?
The canonical SMILES for 1,1,2,2,3,3,4,4,4-nonafluoro-N-undeca-4,5-dienylbutane-1-sulfonamide is CCCCCC=C=CCCCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,2,2,3,3,4,4,4-nonafluoro-N-undeca-4,5-dienylbutane-1-sulfonamide?
The InChIKey is YWMRHNJCRFIWAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F9NO2S/c1-2-3-4-5-6-7-8-9-10-11-25-28(26,27)15(23,24)13(18,19)12(16,17)14(20,21)22/h6,8,25H,2-5,9-11H2,1H3.
What are the key properties of 1,1,2,2,3,3,4,4,4-nonafluoro-N-undeca-4,5-dienylbutane-1-sulfonamide?
1,1,2,2,3,3,4,4,4-nonafluoro-N-undeca-4,5-dienylbutane-1-sulfonamide has a molecular weight of 449.38 g/mol, XLogP of 5.40, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,4,4,4-nonafluoro-N-undeca-4,5-dienylbutane-1-sulfonamide is sourced from PubChem (CID 102467259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).