1,1,2,2,3,3,3-heptafluoro-N-prop-2-enylpropane-1-sulfonamide

C6H6F7NO2S — CID 129294985

IUPAC1,1,2,2,3,3,3-heptafluoro-N-prop-2-enylpropane-1-sulfonamide
SMILESC=CCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H6F7NO2S/c1-2-3-14-17(15,16)6(12,13)4(7,8)5(9,10)11/h2,14H,1,3H2
InChIKeyVJIPGLPQJVIMJC-UHFFFAOYSA-N
MW289.17 g/mol
LogP1.88
Rot. Bonds5

About 1,1,2,2,3,3,3-heptafluoro-N-prop-2-enylpropane-1-sulfonamide

1,1,2,2,3,3,3-heptafluoro-N-prop-2-enylpropane-1-sulfonamide (PubChem CID 129294985) has the molecular formula C6H6F7NO2S and a molecular weight of 289.17 g/mol. Its IUPAC name is 1,1,2,2,3,3,3-heptafluoro-N-prop-2-enylpropane-1-sulfonamide.

Molecular Properties

Compound Name1,1,2,2,3,3,3-heptafluoro-N-prop-2-enylpropane-1-sulfonamide
PubChem CID129294985
Molecular FormulaC6H6F7NO2S
Molecular Weight289.17 g/mol
Exact Mass289.00
IUPAC Name1,1,2,2,3,3,3-heptafluoro-N-prop-2-enylpropane-1-sulfonamide
SMILESC=CCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H6F7NO2S/c1-2-3-14-17(15,16)6(12,13)4(7,8)5(9,10)11/h2,14H,1,3H2
InChIKeyVJIPGLPQJVIMJC-UHFFFAOYSA-N
XLogP1.88
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.17
LogP ≤ 51.88
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'}

Analyze 1,1,2,2,3,3,3-heptafluoro-N-prop-2-enylpropane-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 1,1,2,2,3,3,3-heptafluoro-N-prop-2-enylpropane-1-sulfonamide?
The IUPAC name of 1,1,2,2,3,3,3-heptafluoro-N-prop-2-enylpropane-1-sulfonamide (CID 129294985) is 1,1,2,2,3,3,3-heptafluoro-N-prop-2-enylpropane-1-sulfonamide.
What is the SMILES notation for 1,1,2,2,3,3,3-heptafluoro-N-prop-2-enylpropane-1-sulfonamide?
The canonical SMILES for 1,1,2,2,3,3,3-heptafluoro-N-prop-2-enylpropane-1-sulfonamide is C=CCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,2,2,3,3,3-heptafluoro-N-prop-2-enylpropane-1-sulfonamide?
The InChIKey is VJIPGLPQJVIMJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F7NO2S/c1-2-3-14-17(15,16)6(12,13)4(7,8)5(9,10)11/h2,14H,1,3H2.
What are the key properties of 1,1,2,2,3,3,3-heptafluoro-N-prop-2-enylpropane-1-sulfonamide?
1,1,2,2,3,3,3-heptafluoro-N-prop-2-enylpropane-1-sulfonamide has a molecular weight of 289.17 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,3-heptafluoro-N-prop-2-enylpropane-1-sulfonamide is sourced from PubChem (CID 129294985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).