3-[[1-(3-fluorophenyl)sulfonylazetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione

C13H13FN2O5S — CID 122275169

IUPAC3-[[1-(3-fluorophenyl)sulfonylazetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione
SMILESO=C1COC(=O)N1CC1CN(S(=O)(=O)c2cccc(F)c2)C1
InChIInChI=1S/C13H13FN2O5S/c14-10-2-1-3-11(4-10)22(19,20)15-5-9(6-15)7-16-12(17)8-21-13(16)18/h1-4,9H,5-8H2
InChIKeyHWLSPZBXBFNRBS-UHFFFAOYSA-N
MW328.32 g/mol
LogP0.43
Rot. Bonds4

About 3-[[1-(3-fluorophenyl)sulfonylazetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione

3-[[1-(3-fluorophenyl)sulfonylazetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione (PubChem CID 122275169) has the molecular formula C13H13FN2O5S and a molecular weight of 328.32 g/mol. Its IUPAC name is 3-[[1-(3-fluorophenyl)sulfonylazetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name3-[[1-(3-fluorophenyl)sulfonylazetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione
PubChem CID122275169
Molecular FormulaC13H13FN2O5S
Molecular Weight328.32 g/mol
Exact Mass328.05
IUPAC Name3-[[1-(3-fluorophenyl)sulfonylazetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione
SMILESO=C1COC(=O)N1CC1CN(S(=O)(=O)c2cccc(F)c2)C1
InChIInChI=1S/C13H13FN2O5S/c14-10-2-1-3-11(4-10)22(19,20)15-5-9(6-15)7-16-12(17)8-21-13(16)18/h1-4,9H,5-8H2
InChIKeyHWLSPZBXBFNRBS-UHFFFAOYSA-N
XLogP0.43
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[1-(3-fluorophenyl)sulfonylazetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione?
The IUPAC name of 3-[[1-(3-fluorophenyl)sulfonylazetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione (CID 122275169) is 3-[[1-(3-fluorophenyl)sulfonylazetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 3-[[1-(3-fluorophenyl)sulfonylazetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 3-[[1-(3-fluorophenyl)sulfonylazetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione is O=C1COC(=O)N1CC1CN(S(=O)(=O)c2cccc(F)c2)C1.
What is the InChIKey of 3-[[1-(3-fluorophenyl)sulfonylazetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione?
The InChIKey is HWLSPZBXBFNRBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O5S/c14-10-2-1-3-11(4-10)22(19,20)15-5-9(6-15)7-16-12(17)8-21-13(16)18/h1-4,9H,5-8H2.
What are the key properties of 3-[[1-(3-fluorophenyl)sulfonylazetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione?
3-[[1-(3-fluorophenyl)sulfonylazetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione has a molecular weight of 328.32 g/mol, XLogP of 0.43, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(3-fluorophenyl)sulfonylazetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 122275169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).