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

C17H23FN2O4S — CID 122255304

IUPAC3-fluoro-N-[3-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)-3-oxopropyl]benzenesulfonamide
SMILESCOC1CC2CCC(C1)N2C(=O)CCNS(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C17H23FN2O4S/c1-24-15-10-13-5-6-14(11-15)20(13)17(21)7-8-19-25(22,23)16-4-2-3-12(18)9-16/h2-4,9,13-15,19H,5-8,10-11H2,1H3
InChIKeyCNHDFPMAIGZACG-UHFFFAOYSA-N
MW370.45 g/mol
LogP1.66
Rot. Bonds6

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

3-fluoro-N-[3-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)-3-oxopropyl]benzenesulfonamide (PubChem CID 122255304) has the molecular formula C17H23FN2O4S and a molecular weight of 370.45 g/mol. Its IUPAC name is 3-fluoro-N-[3-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)-3-oxopropyl]benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-N-[3-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)-3-oxopropyl]benzenesulfonamide
PubChem CID122255304
Molecular FormulaC17H23FN2O4S
Molecular Weight370.45 g/mol
Exact Mass370.14
IUPAC Name3-fluoro-N-[3-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)-3-oxopropyl]benzenesulfonamide
SMILESCOC1CC2CCC(C1)N2C(=O)CCNS(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C17H23FN2O4S/c1-24-15-10-13-5-6-14(11-15)20(13)17(21)7-8-19-25(22,23)16-4-2-3-12(18)9-16/h2-4,9,13-15,19H,5-8,10-11H2,1H3
InChIKeyCNHDFPMAIGZACG-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 3-fluoro-N-[3-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)-3-oxopropyl]benzenesulfonamide?
The IUPAC name of 3-fluoro-N-[3-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)-3-oxopropyl]benzenesulfonamide (CID 122255304) is 3-fluoro-N-[3-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)-3-oxopropyl]benzenesulfonamide.
What is the SMILES notation for 3-fluoro-N-[3-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)-3-oxopropyl]benzenesulfonamide?
The canonical SMILES for 3-fluoro-N-[3-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)-3-oxopropyl]benzenesulfonamide is COC1CC2CCC(C1)N2C(=O)CCNS(=O)(=O)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[3-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)-3-oxopropyl]benzenesulfonamide?
The InChIKey is CNHDFPMAIGZACG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O4S/c1-24-15-10-13-5-6-14(11-15)20(13)17(21)7-8-19-25(22,23)16-4-2-3-12(18)9-16/h2-4,9,13-15,19H,5-8,10-11H2,1H3.
What are the key properties of 3-fluoro-N-[3-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)-3-oxopropyl]benzenesulfonamide?
3-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 3-fluoro-N-[3-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)-3-oxopropyl]benzenesulfonamide is sourced from PubChem (CID 122255304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).