N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-fluoromethanesulfonamide

C9H14FNO2S — CID 70948125

IUPACN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-fluoromethanesulfonamide
SMILESO=S(=O)(CF)NCC1CC2C=CC1C2
InChIInChI=1S/C9H14FNO2S/c10-6-14(12,13)11-5-9-4-7-1-2-8(9)3-7/h1-2,7-9,11H,3-6H2
InChIKeyXZIHQDZPVBRPMR-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.04
Rot. Bonds4

About N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-fluoromethanesulfonamide

N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-fluoromethanesulfonamide (PubChem CID 70948125) has the molecular formula C9H14FNO2S and a molecular weight of 219.28 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-fluoromethanesulfonamide.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-fluoromethanesulfonamide
PubChem CID70948125
Molecular FormulaC9H14FNO2S
Molecular Weight219.28 g/mol
Exact Mass219.07
IUPAC NameN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-fluoromethanesulfonamide
SMILESO=S(=O)(CF)NCC1CC2C=CC1C2
InChIInChI=1S/C9H14FNO2S/c10-6-14(12,13)11-5-9-4-7-1-2-8(9)3-7/h1-2,7-9,11H,3-6H2
InChIKeyXZIHQDZPVBRPMR-UHFFFAOYSA-N
XLogP1.04
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-fluoromethanesulfonamide?
The IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-fluoromethanesulfonamide (CID 70948125) is N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-fluoromethanesulfonamide.
What is the SMILES notation for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-fluoromethanesulfonamide?
The canonical SMILES for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-fluoromethanesulfonamide is O=S(=O)(CF)NCC1CC2C=CC1C2.
What is the InChIKey of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-fluoromethanesulfonamide?
The InChIKey is XZIHQDZPVBRPMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FNO2S/c10-6-14(12,13)11-5-9-4-7-1-2-8(9)3-7/h1-2,7-9,11H,3-6H2.
What are the key properties of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-fluoromethanesulfonamide?
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-fluoromethanesulfonamide has a molecular weight of 219.28 g/mol, XLogP of 1.04, 4 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-enylmethyl)-1-fluoromethanesulfonamide is sourced from PubChem (CID 70948125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).