methyl 4-[(E)-[3-(4-methylphenyl)sulfonyl-2-oxo-1,3-oxazolidin-4-ylidene]methyl]benzoate

C19H17NO6S — CID 15835362

IUPACmethyl 4-[(E)-[3-(4-methylphenyl)sulfonyl-2-oxo-1,3-oxazolidin-4-ylidene]methyl]benzoate
SMILESCOC(=O)c1ccc(/C=C2\COC(=O)N2S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C19H17NO6S/c1-13-3-9-17(10-4-13)27(23,24)20-16(12-26-19(20)22)11-14-5-7-15(8-6-14)18(21)25-2/h3-11H,12H2,1-2H3/b16-11+
InChIKeyKPMBKQAZMLRABN-LFIBNONCSA-N
MW387.41 g/mol
LogP2.96
Rot. Bonds4

About methyl 4-[(E)-[3-(4-methylphenyl)sulfonyl-2-oxo-1,3-oxazolidin-4-ylidene]methyl]benzoate

methyl 4-[(E)-[3-(4-methylphenyl)sulfonyl-2-oxo-1,3-oxazolidin-4-ylidene]methyl]benzoate (PubChem CID 15835362) has the molecular formula C19H17NO6S and a molecular weight of 387.41 g/mol. Its IUPAC name is methyl 4-[(E)-[3-(4-methylphenyl)sulfonyl-2-oxo-1,3-oxazolidin-4-ylidene]methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[(E)-[3-(4-methylphenyl)sulfonyl-2-oxo-1,3-oxazolidin-4-ylidene]methyl]benzoate
PubChem CID15835362
Molecular FormulaC19H17NO6S
Molecular Weight387.41 g/mol
Exact Mass387.08
IUPAC Namemethyl 4-[(E)-[3-(4-methylphenyl)sulfonyl-2-oxo-1,3-oxazolidin-4-ylidene]methyl]benzoate
SMILESCOC(=O)c1ccc(/C=C2\COC(=O)N2S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C19H17NO6S/c1-13-3-9-17(10-4-13)27(23,24)20-16(12-26-19(20)22)11-14-5-7-15(8-6-14)18(21)25-2/h3-11H,12H2,1-2H3/b16-11+
InChIKeyKPMBKQAZMLRABN-LFIBNONCSA-N
XLogP2.96
TPSA89.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.41
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 4-[(E)-[3-(4-methylphenyl)sulfonyl-2-oxo-1,3-oxazolidin-4-ylidene]methyl]benzoate with MolForge

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Related Compounds

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methyl 4-[4,4-dimethyl-1-(4-methylphenyl)sulfonylpyrrolidine-3-carbonyl]benzoate
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methyl 4-[(Z)-(5,7-dimethyl-1-oxo-3,4-dihydronaphthalen-2-ylidene)methyl]benzoate
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methyl 1-(4-methylphenyl)sulfonyl-7-trimethylsilyl-2,3-dihydroindole-4-carboxylate
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N-ethylethanamine;methyl 4-methylbenzoate
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Frequently Asked Questions

What is the IUPAC name of methyl 4-[(E)-[3-(4-methylphenyl)sulfonyl-2-oxo-1,3-oxazolidin-4-ylidene]methyl]benzoate?
The IUPAC name of methyl 4-[(E)-[3-(4-methylphenyl)sulfonyl-2-oxo-1,3-oxazolidin-4-ylidene]methyl]benzoate (CID 15835362) is methyl 4-[(E)-[3-(4-methylphenyl)sulfonyl-2-oxo-1,3-oxazolidin-4-ylidene]methyl]benzoate.
What is the SMILES notation for methyl 4-[(E)-[3-(4-methylphenyl)sulfonyl-2-oxo-1,3-oxazolidin-4-ylidene]methyl]benzoate?
The canonical SMILES for methyl 4-[(E)-[3-(4-methylphenyl)sulfonyl-2-oxo-1,3-oxazolidin-4-ylidene]methyl]benzoate is COC(=O)c1ccc(/C=C2\COC(=O)N2S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of methyl 4-[(E)-[3-(4-methylphenyl)sulfonyl-2-oxo-1,3-oxazolidin-4-ylidene]methyl]benzoate?
The InChIKey is KPMBKQAZMLRABN-LFIBNONCSA-N. The full InChI is InChI=1S/C19H17NO6S/c1-13-3-9-17(10-4-13)27(23,24)20-16(12-26-19(20)22)11-14-5-7-15(8-6-14)18(21)25-2/h3-11H,12H2,1-2H3/b16-11+.
What are the key properties of methyl 4-[(E)-[3-(4-methylphenyl)sulfonyl-2-oxo-1,3-oxazolidin-4-ylidene]methyl]benzoate?
methyl 4-[(E)-[3-(4-methylphenyl)sulfonyl-2-oxo-1,3-oxazolidin-4-ylidene]methyl]benzoate has a molecular weight of 387.41 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(E)-[3-(4-methylphenyl)sulfonyl-2-oxo-1,3-oxazolidin-4-ylidene]methyl]benzoate is sourced from PubChem (CID 15835362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).