N-[2-[2-(2-fluorophenyl)acetyl]-2-azabicyclo[2.2.1]heptan-5-yl]methanesulfonamide

C15H19FN2O3S — CID 156601676

IUPACN-[2-[2-(2-fluorophenyl)acetyl]-2-azabicyclo[2.2.1]heptan-5-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CC2CC1CN2C(=O)Cc1ccccc1F
InChIInChI=1S/C15H19FN2O3S/c1-22(20,21)17-14-8-12-6-11(14)9-18(12)15(19)7-10-4-2-3-5-13(10)16/h2-5,11-12,14,17H,6-9H2,1H3
InChIKeyXTVQLOJYRWOFEA-UHFFFAOYSA-N
MW326.39 g/mol
LogP0.91
Rot. Bonds4

About N-[2-[2-(2-fluorophenyl)acetyl]-2-azabicyclo[2.2.1]heptan-5-yl]methanesulfonamide

N-[2-[2-(2-fluorophenyl)acetyl]-2-azabicyclo[2.2.1]heptan-5-yl]methanesulfonamide (PubChem CID 156601676) has the molecular formula C15H19FN2O3S and a molecular weight of 326.39 g/mol. Its IUPAC name is N-[2-[2-(2-fluorophenyl)acetyl]-2-azabicyclo[2.2.1]heptan-5-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[2-(2-fluorophenyl)acetyl]-2-azabicyclo[2.2.1]heptan-5-yl]methanesulfonamide
PubChem CID156601676
Molecular FormulaC15H19FN2O3S
Molecular Weight326.39 g/mol
Exact Mass326.11
IUPAC NameN-[2-[2-(2-fluorophenyl)acetyl]-2-azabicyclo[2.2.1]heptan-5-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CC2CC1CN2C(=O)Cc1ccccc1F
InChIInChI=1S/C15H19FN2O3S/c1-22(20,21)17-14-8-12-6-11(14)9-18(12)15(19)7-10-4-2-3-5-13(10)16/h2-5,11-12,14,17H,6-9H2,1H3
InChIKeyXTVQLOJYRWOFEA-UHFFFAOYSA-N
XLogP0.91
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-fluorophenyl)acetyl]-2-azabicyclo[2.2.1]heptan-5-yl]methanesulfonamide?
The IUPAC name of N-[2-[2-(2-fluorophenyl)acetyl]-2-azabicyclo[2.2.1]heptan-5-yl]methanesulfonamide (CID 156601676) is N-[2-[2-(2-fluorophenyl)acetyl]-2-azabicyclo[2.2.1]heptan-5-yl]methanesulfonamide.
What is the SMILES notation for N-[2-[2-(2-fluorophenyl)acetyl]-2-azabicyclo[2.2.1]heptan-5-yl]methanesulfonamide?
The canonical SMILES for N-[2-[2-(2-fluorophenyl)acetyl]-2-azabicyclo[2.2.1]heptan-5-yl]methanesulfonamide is CS(=O)(=O)NC1CC2CC1CN2C(=O)Cc1ccccc1F.
What is the InChIKey of N-[2-[2-(2-fluorophenyl)acetyl]-2-azabicyclo[2.2.1]heptan-5-yl]methanesulfonamide?
The InChIKey is XTVQLOJYRWOFEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O3S/c1-22(20,21)17-14-8-12-6-11(14)9-18(12)15(19)7-10-4-2-3-5-13(10)16/h2-5,11-12,14,17H,6-9H2,1H3.
What are the key properties of N-[2-[2-(2-fluorophenyl)acetyl]-2-azabicyclo[2.2.1]heptan-5-yl]methanesulfonamide?
N-[2-[2-(2-fluorophenyl)acetyl]-2-azabicyclo[2.2.1]heptan-5-yl]methanesulfonamide has a molecular weight of 326.39 g/mol, XLogP of 0.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-fluorophenyl)acetyl]-2-azabicyclo[2.2.1]heptan-5-yl]methanesulfonamide is sourced from PubChem (CID 156601676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).