2-fluoro-N-[3-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)-3-oxopropyl]benzenesulfonamide

C17H23FN2O4S — CID 122255294

IUPAC2-fluoro-N-[3-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)-3-oxopropyl]benzenesulfonamide
SMILESCOC1CC2CCC(C1)N2C(=O)CCNS(=O)(=O)c1ccccc1F
InChIInChI=1S/C17H23FN2O4S/c1-24-14-10-12-6-7-13(11-14)20(12)17(21)8-9-19-25(22,23)16-5-3-2-4-15(16)18/h2-5,12-14,19H,6-11H2,1H3
InChIKeyUFNPBSOIFCXQNP-UHFFFAOYSA-N
MW370.45 g/mol
LogP1.66
Rot. Bonds6

About 2-fluoro-N-[3-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)-3-oxopropyl]benzenesulfonamide

2-fluoro-N-[3-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)-3-oxopropyl]benzenesulfonamide (PubChem CID 122255294) has the molecular formula C17H23FN2O4S and a molecular weight of 370.45 g/mol. Its IUPAC name is 2-fluoro-N-[3-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)-3-oxopropyl]benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-[3-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)-3-oxopropyl]benzenesulfonamide
PubChem CID122255294
Molecular FormulaC17H23FN2O4S
Molecular Weight370.45 g/mol
Exact Mass370.14
IUPAC Name2-fluoro-N-[3-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)-3-oxopropyl]benzenesulfonamide
SMILESCOC1CC2CCC(C1)N2C(=O)CCNS(=O)(=O)c1ccccc1F
InChIInChI=1S/C17H23FN2O4S/c1-24-14-10-12-6-7-13(11-14)20(12)17(21)8-9-19-25(22,23)16-5-3-2-4-15(16)18/h2-5,12-14,19H,6-11H2,1H3
InChIKeyUFNPBSOIFCXQNP-UHFFFAOYSA-N
XLogP1.66
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[3-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)-3-oxopropyl]benzenesulfonamide?
The IUPAC name of 2-fluoro-N-[3-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)-3-oxopropyl]benzenesulfonamide (CID 122255294) is 2-fluoro-N-[3-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)-3-oxopropyl]benzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-[3-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)-3-oxopropyl]benzenesulfonamide?
The canonical SMILES for 2-fluoro-N-[3-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)-3-oxopropyl]benzenesulfonamide is COC1CC2CCC(C1)N2C(=O)CCNS(=O)(=O)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[3-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)-3-oxopropyl]benzenesulfonamide?
The InChIKey is UFNPBSOIFCXQNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O4S/c1-24-14-10-12-6-7-13(11-14)20(12)17(21)8-9-19-25(22,23)16-5-3-2-4-15(16)18/h2-5,12-14,19H,6-11H2,1H3.
What are the key properties of 2-fluoro-N-[3-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)-3-oxopropyl]benzenesulfonamide?
2-fluoro-N-[3-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)-3-oxopropyl]benzenesulfonamide has a molecular weight of 370.45 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[3-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)-3-oxopropyl]benzenesulfonamide is sourced from PubChem (CID 122255294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).