(2E,4E)-N-(trifluoromethylsulfonyl)hexa-2,4-dienamide

C7H8F3NO3S — CID 155170687

IUPAC(2E,4E)-N-(trifluoromethylsulfonyl)hexa-2,4-dienamide
SMILESC/C=C/C=C/C(=O)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C7H8F3NO3S/c1-2-3-4-5-6(12)11-15(13,14)7(8,9)10/h2-5H,1H3,(H,11,12)/b3-2+,5-4+
InChIKeyQAIKBDGPPYIOEL-MQQKCMAXSA-N
MW243.21 g/mol
LogP1.08
Rot. Bonds3

About (2E,4E)-N-(trifluoromethylsulfonyl)hexa-2,4-dienamide

(2E,4E)-N-(trifluoromethylsulfonyl)hexa-2,4-dienamide (PubChem CID 155170687) has the molecular formula C7H8F3NO3S and a molecular weight of 243.21 g/mol. Its IUPAC name is (2E,4E)-N-(trifluoromethylsulfonyl)hexa-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-N-(trifluoromethylsulfonyl)hexa-2,4-dienamide
PubChem CID155170687
Molecular FormulaC7H8F3NO3S
Molecular Weight243.21 g/mol
Exact Mass243.02
IUPAC Name(2E,4E)-N-(trifluoromethylsulfonyl)hexa-2,4-dienamide
SMILESC/C=C/C=C/C(=O)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C7H8F3NO3S/c1-2-3-4-5-6(12)11-15(13,14)7(8,9)10/h2-5H,1H3,(H,11,12)/b3-2+,5-4+
InChIKeyQAIKBDGPPYIOEL-MQQKCMAXSA-N
XLogP1.08
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.21
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2E,4E)-N-(trifluoromethylsulfonyl)hexa-2,4-dienamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(trifluoromethylsulfonyl)prop-2-enamide
CID 87697987
(2E)-N-(trifluoromethylsulfonyl)hexa-2,5-dienamide
CID 154028058
(2E,4E)-N-(trifluoromethylsulfonyl)hepta-2,4,6-trienamide
CID 154028060
(E)-N-(2,2,2-trifluoroethylsulfonyl)but-2-enamide
CID 155170692
N-(difluoromethylsulfonyl)-3-methylbut-2-enamide
CID 130978148
(E)-N-(trifluoromethylsulfonyl)pent-2-enamide
CID 155621438
(E)-N-(1,1,2,2,2-pentafluoroethylsulfonyl)but-2-enamide
CID 164845146
(E)-N-methylsulfonylbut-2-enamide
CID 57811589
N-methylsulfonylbut-2-enamide
CID 76618127
(2E,4E)-N-methylsulfonylhexa-2,4-dienamide
CID 133615476

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-N-(trifluoromethylsulfonyl)hexa-2,4-dienamide?
The IUPAC name of (2E,4E)-N-(trifluoromethylsulfonyl)hexa-2,4-dienamide (CID 155170687) is (2E,4E)-N-(trifluoromethylsulfonyl)hexa-2,4-dienamide.
What is the SMILES notation for (2E,4E)-N-(trifluoromethylsulfonyl)hexa-2,4-dienamide?
The canonical SMILES for (2E,4E)-N-(trifluoromethylsulfonyl)hexa-2,4-dienamide is C/C=C/C=C/C(=O)NS(=O)(=O)C(F)(F)F.
What is the InChIKey of (2E,4E)-N-(trifluoromethylsulfonyl)hexa-2,4-dienamide?
The InChIKey is QAIKBDGPPYIOEL-MQQKCMAXSA-N. The full InChI is InChI=1S/C7H8F3NO3S/c1-2-3-4-5-6(12)11-15(13,14)7(8,9)10/h2-5H,1H3,(H,11,12)/b3-2+,5-4+.
What are the key properties of (2E,4E)-N-(trifluoromethylsulfonyl)hexa-2,4-dienamide?
(2E,4E)-N-(trifluoromethylsulfonyl)hexa-2,4-dienamide has a molecular weight of 243.21 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-N-(trifluoromethylsulfonyl)hexa-2,4-dienamide is sourced from PubChem (CID 155170687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).