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

C7H8F7NO2S — CID 129294987

IUPACN-[(E)-but-2-enyl]-1,1,2,2,3,3,3-heptafluoropropane-1-sulfonamide
SMILESC/C=C/CNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H8F7NO2S/c1-2-3-4-15-18(16,17)7(13,14)5(8,9)6(10,11)12/h2-3,15H,4H2,1H3/b3-2+
InChIKeyGQHIBUYSXKRVCN-NSCUHMNNSA-N
MW303.20 g/mol
LogP2.27
Rot. Bonds5

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

N-[(E)-but-2-enyl]-1,1,2,2,3,3,3-heptafluoropropane-1-sulfonamide (PubChem CID 129294987) has the molecular formula C7H8F7NO2S and a molecular weight of 303.20 g/mol. Its IUPAC name is N-[(E)-but-2-enyl]-1,1,2,2,3,3,3-heptafluoropropane-1-sulfonamide.

Molecular Properties

Compound NameN-[(E)-but-2-enyl]-1,1,2,2,3,3,3-heptafluoropropane-1-sulfonamide
PubChem CID129294987
Molecular FormulaC7H8F7NO2S
Molecular Weight303.20 g/mol
Exact Mass303.02
IUPAC NameN-[(E)-but-2-enyl]-1,1,2,2,3,3,3-heptafluoropropane-1-sulfonamide
SMILESC/C=C/CNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H8F7NO2S/c1-2-3-4-15-18(16,17)7(13,14)5(8,9)6(10,11)12/h2-3,15H,4H2,1H3/b3-2+
InChIKeyGQHIBUYSXKRVCN-NSCUHMNNSA-N
XLogP2.27
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.20
LogP ≤ 52.27
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 N-[(E)-but-2-enyl]-1,1,2,2,3,3,3-heptafluoropropane-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 N-[(E)-but-2-enyl]-1,1,2,2,3,3,3-heptafluoropropane-1-sulfonamide?
The IUPAC name of N-[(E)-but-2-enyl]-1,1,2,2,3,3,3-heptafluoropropane-1-sulfonamide (CID 129294987) is N-[(E)-but-2-enyl]-1,1,2,2,3,3,3-heptafluoropropane-1-sulfonamide.
What is the SMILES notation for N-[(E)-but-2-enyl]-1,1,2,2,3,3,3-heptafluoropropane-1-sulfonamide?
The canonical SMILES for N-[(E)-but-2-enyl]-1,1,2,2,3,3,3-heptafluoropropane-1-sulfonamide is C/C=C/CNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of N-[(E)-but-2-enyl]-1,1,2,2,3,3,3-heptafluoropropane-1-sulfonamide?
The InChIKey is GQHIBUYSXKRVCN-NSCUHMNNSA-N. The full InChI is InChI=1S/C7H8F7NO2S/c1-2-3-4-15-18(16,17)7(13,14)5(8,9)6(10,11)12/h2-3,15H,4H2,1H3/b3-2+.
What are the key properties of N-[(E)-but-2-enyl]-1,1,2,2,3,3,3-heptafluoropropane-1-sulfonamide?
N-[(E)-but-2-enyl]-1,1,2,2,3,3,3-heptafluoropropane-1-sulfonamide has a molecular weight of 303.20 g/mol, XLogP of 2.27, 5 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]-1,1,2,2,3,3,3-heptafluoropropane-1-sulfonamide is sourced from PubChem (CID 129294987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).