N-(2-bicyclo[2.2.1]hepta-1,5-dienylmethyl)-1,1,1-trifluoromethanesulfonamide

C9H10F3NO2S — CID 162577577

IUPACN-(2-bicyclo[2.2.1]hepta-1,5-dienylmethyl)-1,1,1-trifluoromethanesulfonamide
SMILESO=S(=O)(NCC1=C2C=CC(C2)C1)C(F)(F)F
InChIInChI=1S/C9H10F3NO2S/c10-9(11,12)16(14,15)13-5-8-4-6-1-2-7(8)3-6/h1-2,6,13H,3-5H2
InChIKeySHCSTUWGWOFHEM-UHFFFAOYSA-N
MW253.24 g/mol
LogP1.70
Rot. Bonds3

About N-(2-bicyclo[2.2.1]hepta-1,5-dienylmethyl)-1,1,1-trifluoromethanesulfonamide

N-(2-bicyclo[2.2.1]hepta-1,5-dienylmethyl)-1,1,1-trifluoromethanesulfonamide (PubChem CID 162577577) has the molecular formula C9H10F3NO2S and a molecular weight of 253.24 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]hepta-1,5-dienylmethyl)-1,1,1-trifluoromethanesulfonamide.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]hepta-1,5-dienylmethyl)-1,1,1-trifluoromethanesulfonamide
PubChem CID162577577
Molecular FormulaC9H10F3NO2S
Molecular Weight253.24 g/mol
Exact Mass253.04
IUPAC NameN-(2-bicyclo[2.2.1]hepta-1,5-dienylmethyl)-1,1,1-trifluoromethanesulfonamide
SMILESO=S(=O)(NCC1=C2C=CC(C2)C1)C(F)(F)F
InChIInChI=1S/C9H10F3NO2S/c10-9(11,12)16(14,15)13-5-8-4-6-1-2-7(8)3-6/h1-2,6,13H,3-5H2
InChIKeySHCSTUWGWOFHEM-UHFFFAOYSA-N
XLogP1.70
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.24
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2-bicyclo[2.2.1]hepta-1,5-dienylmethyl)-1,1,1-trifluoromethanesulfonamide 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-(2-bicyclo[2.2.1]hepta-1,5-dienylmethyl)-1,1,1-trifluoromethanesulfonamide?
The IUPAC name of N-(2-bicyclo[2.2.1]hepta-1,5-dienylmethyl)-1,1,1-trifluoromethanesulfonamide (CID 162577577) is N-(2-bicyclo[2.2.1]hepta-1,5-dienylmethyl)-1,1,1-trifluoromethanesulfonamide.
What is the SMILES notation for N-(2-bicyclo[2.2.1]hepta-1,5-dienylmethyl)-1,1,1-trifluoromethanesulfonamide?
The canonical SMILES for N-(2-bicyclo[2.2.1]hepta-1,5-dienylmethyl)-1,1,1-trifluoromethanesulfonamide is O=S(=O)(NCC1=C2C=CC(C2)C1)C(F)(F)F.
What is the InChIKey of N-(2-bicyclo[2.2.1]hepta-1,5-dienylmethyl)-1,1,1-trifluoromethanesulfonamide?
The InChIKey is SHCSTUWGWOFHEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO2S/c10-9(11,12)16(14,15)13-5-8-4-6-1-2-7(8)3-6/h1-2,6,13H,3-5H2.
What are the key properties of N-(2-bicyclo[2.2.1]hepta-1,5-dienylmethyl)-1,1,1-trifluoromethanesulfonamide?
N-(2-bicyclo[2.2.1]hepta-1,5-dienylmethyl)-1,1,1-trifluoromethanesulfonamide has a molecular weight of 253.24 g/mol, XLogP of 1.70, 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]hepta-1,5-dienylmethyl)-1,1,1-trifluoromethanesulfonamide is sourced from PubChem (CID 162577577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).