5-ethyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one

C12H15NO4S — CID 15902690

IUPAC5-ethyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one
SMILESCCC1CN(S(=O)(=O)c2ccc(C)cc2)C(=O)O1
InChIInChI=1S/C12H15NO4S/c1-3-10-8-13(12(14)17-10)18(15,16)11-6-4-9(2)5-7-11/h4-7,10H,3,8H2,1-2H3
InChIKeyCCGMIOXCOPBDKY-UHFFFAOYSA-N
MW269.32 g/mol
LogP1.91
Rot. Bonds3

About 5-ethyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one

5-ethyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one (PubChem CID 15902690) has the molecular formula C12H15NO4S and a molecular weight of 269.32 g/mol. Its IUPAC name is 5-ethyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-ethyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one
PubChem CID15902690
Molecular FormulaC12H15NO4S
Molecular Weight269.32 g/mol
Exact Mass269.07
IUPAC Name5-ethyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one
SMILESCCC1CN(S(=O)(=O)c2ccc(C)cc2)C(=O)O1
InChIInChI=1S/C12H15NO4S/c1-3-10-8-13(12(14)17-10)18(15,16)11-6-4-9(2)5-7-11/h4-7,10H,3,8H2,1-2H3
InChIKeyCCGMIOXCOPBDKY-UHFFFAOYSA-N
XLogP1.91
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one?
The IUPAC name of 5-ethyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one (CID 15902690) is 5-ethyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-ethyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one?
The canonical SMILES for 5-ethyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one is CCC1CN(S(=O)(=O)c2ccc(C)cc2)C(=O)O1.
What is the InChIKey of 5-ethyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one?
The InChIKey is CCGMIOXCOPBDKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4S/c1-3-10-8-13(12(14)17-10)18(15,16)11-6-4-9(2)5-7-11/h4-7,10H,3,8H2,1-2H3.
What are the key properties of 5-ethyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one?
5-ethyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one has a molecular weight of 269.32 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 15902690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).