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

C14H15NO4S — CID 11616301

IUPAC5,5-bis(ethenyl)-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one
SMILESC=CC1(C=C)CN(S(=O)(=O)c2ccc(C)cc2)C(=O)O1
InChIInChI=1S/C14H15NO4S/c1-4-14(5-2)10-15(13(16)19-14)20(17,18)12-8-6-11(3)7-9-12/h4-9H,1-2,10H2,3H3
InChIKeyKYIXASNNQHWMLP-UHFFFAOYSA-N
MW293.34 g/mol
LogP2.25
Rot. Bonds4

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

5,5-bis(ethenyl)-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one (PubChem CID 11616301) has the molecular formula C14H15NO4S and a molecular weight of 293.34 g/mol. Its IUPAC name is 5,5-bis(ethenyl)-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5,5-bis(ethenyl)-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one
PubChem CID11616301
Molecular FormulaC14H15NO4S
Molecular Weight293.34 g/mol
Exact Mass293.07
IUPAC Name5,5-bis(ethenyl)-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one
SMILESC=CC1(C=C)CN(S(=O)(=O)c2ccc(C)cc2)C(=O)O1
InChIInChI=1S/C14H15NO4S/c1-4-14(5-2)10-15(13(16)19-14)20(17,18)12-8-6-11(3)7-9-12/h4-9H,1-2,10H2,3H3
InChIKeyKYIXASNNQHWMLP-UHFFFAOYSA-N
XLogP2.25
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,5-bis(ethenyl)-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one?
The IUPAC name of 5,5-bis(ethenyl)-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one (CID 11616301) is 5,5-bis(ethenyl)-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 5,5-bis(ethenyl)-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one?
The canonical SMILES for 5,5-bis(ethenyl)-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one is C=CC1(C=C)CN(S(=O)(=O)c2ccc(C)cc2)C(=O)O1.
What is the InChIKey of 5,5-bis(ethenyl)-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one?
The InChIKey is KYIXASNNQHWMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4S/c1-4-14(5-2)10-15(13(16)19-14)20(17,18)12-8-6-11(3)7-9-12/h4-9H,1-2,10H2,3H3.
What are the key properties of 5,5-bis(ethenyl)-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one?
5,5-bis(ethenyl)-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one has a molecular weight of 293.34 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-bis(ethenyl)-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 11616301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).