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

C12H13NO4S — CID 11230938

IUPAC(4R)-4-ethenyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one
SMILESC=C[C@@H]1COC(=O)N1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C12H13NO4S/c1-3-10-8-17-12(14)13(10)18(15,16)11-6-4-9(2)5-7-11/h3-7,10H,1,8H2,2H3/t10-/m1/s1
InChIKeyHBQKWXYWJQVRSH-SNVBAGLBSA-N
MW267.31 g/mol
LogP1.69
Rot. Bonds3

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

(4R)-4-ethenyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one (PubChem CID 11230938) has the molecular formula C12H13NO4S and a molecular weight of 267.31 g/mol. Its IUPAC name is (4R)-4-ethenyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-ethenyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one
PubChem CID11230938
Molecular FormulaC12H13NO4S
Molecular Weight267.31 g/mol
Exact Mass267.06
IUPAC Name(4R)-4-ethenyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one
SMILESC=C[C@@H]1COC(=O)N1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C12H13NO4S/c1-3-10-8-17-12(14)13(10)18(15,16)11-6-4-9(2)5-7-11/h3-7,10H,1,8H2,2H3/t10-/m1/s1
InChIKeyHBQKWXYWJQVRSH-SNVBAGLBSA-N
XLogP1.69
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 51.69
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 (4R)-4-ethenyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-ethenyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one (CID 11230938) is (4R)-4-ethenyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-ethenyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-ethenyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one is C=C[C@@H]1COC(=O)N1S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of (4R)-4-ethenyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one?
The InChIKey is HBQKWXYWJQVRSH-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H13NO4S/c1-3-10-8-17-12(14)13(10)18(15,16)11-6-4-9(2)5-7-11/h3-7,10H,1,8H2,2H3/t10-/m1/s1.
What are the key properties of (4R)-4-ethenyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one?
(4R)-4-ethenyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one has a molecular weight of 267.31 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-ethenyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 11230938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).