N-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,2,2,2-pentafluoroethanesulfonamide

C9H10F5NO2S — CID 87415341

IUPACN-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,2,2,2-pentafluoroethanesulfonamide
SMILESO=S(=O)(NC1CC2C=CC1C2)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H10F5NO2S/c10-8(11,12)9(13,14)18(16,17)15-7-4-5-1-2-6(7)3-5/h1-2,5-7,15H,3-4H2
InChIKeyGLSJZJSPOLVERS-UHFFFAOYSA-N
MW291.24 g/mol
LogP2.03
Rot. Bonds3

About N-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,2,2,2-pentafluoroethanesulfonamide

N-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,2,2,2-pentafluoroethanesulfonamide (PubChem CID 87415341) has the molecular formula C9H10F5NO2S and a molecular weight of 291.24 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,2,2,2-pentafluoroethanesulfonamide.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,2,2,2-pentafluoroethanesulfonamide
PubChem CID87415341
Molecular FormulaC9H10F5NO2S
Molecular Weight291.24 g/mol
Exact Mass291.04
IUPAC NameN-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,2,2,2-pentafluoroethanesulfonamide
SMILESO=S(=O)(NC1CC2C=CC1C2)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H10F5NO2S/c10-8(11,12)9(13,14)18(16,17)15-7-4-5-1-2-6(7)3-5/h1-2,5-7,15H,3-4H2
InChIKeyGLSJZJSPOLVERS-UHFFFAOYSA-N
XLogP2.03
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.24
LogP ≤ 52.03
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-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,2,2,2-pentafluoroethanesulfonamide?
The IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,2,2,2-pentafluoroethanesulfonamide (CID 87415341) is N-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,2,2,2-pentafluoroethanesulfonamide.
What is the SMILES notation for N-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,2,2,2-pentafluoroethanesulfonamide?
The canonical SMILES for N-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,2,2,2-pentafluoroethanesulfonamide is O=S(=O)(NC1CC2C=CC1C2)C(F)(F)C(F)(F)F.
What is the InChIKey of N-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,2,2,2-pentafluoroethanesulfonamide?
The InChIKey is GLSJZJSPOLVERS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F5NO2S/c10-8(11,12)9(13,14)18(16,17)15-7-4-5-1-2-6(7)3-5/h1-2,5-7,15H,3-4H2.
What are the key properties of N-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,2,2,2-pentafluoroethanesulfonamide?
N-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,2,2,2-pentafluoroethanesulfonamide has a molecular weight of 291.24 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,2,2,2-pentafluoroethanesulfonamide is sourced from PubChem (CID 87415341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).