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

C15H16N2O6S — CID 122275128

IUPAC3-[[1-(4-acetylphenyl)sulfonylazetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione
SMILESCC(=O)c1ccc(S(=O)(=O)N2CC(CN3C(=O)COC3=O)C2)cc1
InChIInChI=1S/C15H16N2O6S/c1-10(18)12-2-4-13(5-3-12)24(21,22)16-6-11(7-16)8-17-14(19)9-23-15(17)20/h2-5,11H,6-9H2,1H3
InChIKeyCDKZHXPLUKXWMF-UHFFFAOYSA-N
MW352.37 g/mol
LogP0.49
Rot. Bonds5

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

3-[[1-(4-acetylphenyl)sulfonylazetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione (PubChem CID 122275128) has the molecular formula C15H16N2O6S and a molecular weight of 352.37 g/mol. Its IUPAC name is 3-[[1-(4-acetylphenyl)sulfonylazetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name3-[[1-(4-acetylphenyl)sulfonylazetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione
PubChem CID122275128
Molecular FormulaC15H16N2O6S
Molecular Weight352.37 g/mol
Exact Mass352.07
IUPAC Name3-[[1-(4-acetylphenyl)sulfonylazetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione
SMILESCC(=O)c1ccc(S(=O)(=O)N2CC(CN3C(=O)COC3=O)C2)cc1
InChIInChI=1S/C15H16N2O6S/c1-10(18)12-2-4-13(5-3-12)24(21,22)16-6-11(7-16)8-17-14(19)9-23-15(17)20/h2-5,11H,6-9H2,1H3
InChIKeyCDKZHXPLUKXWMF-UHFFFAOYSA-N
XLogP0.49
TPSA101.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[1-(4-acetylphenyl)sulfonylazetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione?
The IUPAC name of 3-[[1-(4-acetylphenyl)sulfonylazetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione (CID 122275128) is 3-[[1-(4-acetylphenyl)sulfonylazetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 3-[[1-(4-acetylphenyl)sulfonylazetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 3-[[1-(4-acetylphenyl)sulfonylazetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione is CC(=O)c1ccc(S(=O)(=O)N2CC(CN3C(=O)COC3=O)C2)cc1.
What is the InChIKey of 3-[[1-(4-acetylphenyl)sulfonylazetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione?
The InChIKey is CDKZHXPLUKXWMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O6S/c1-10(18)12-2-4-13(5-3-12)24(21,22)16-6-11(7-16)8-17-14(19)9-23-15(17)20/h2-5,11H,6-9H2,1H3.
What are the key properties of 3-[[1-(4-acetylphenyl)sulfonylazetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione?
3-[[1-(4-acetylphenyl)sulfonylazetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione has a molecular weight of 352.37 g/mol, XLogP of 0.49, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(4-acetylphenyl)sulfonylazetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 122275128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).