methyl 2-[(2-oxo-1,3-oxazolidin-3-yl)sulfonylmethyl]benzoate

C12H13NO6S — CID 14988081

IUPACmethyl 2-[(2-oxo-1,3-oxazolidin-3-yl)sulfonylmethyl]benzoate
SMILESCOC(=O)c1ccccc1CS(=O)(=O)N1CCOC1=O
InChIInChI=1S/C12H13NO6S/c1-18-11(14)10-5-3-2-4-9(10)8-20(16,17)13-6-7-19-12(13)15/h2-5H,6-8H2,1H3
InChIKeyJJAMJHDNSHUWES-UHFFFAOYSA-N
MW299.30 g/mol
LogP0.76
Rot. Bonds4

About methyl 2-[(2-oxo-1,3-oxazolidin-3-yl)sulfonylmethyl]benzoate

methyl 2-[(2-oxo-1,3-oxazolidin-3-yl)sulfonylmethyl]benzoate (PubChem CID 14988081) has the molecular formula C12H13NO6S and a molecular weight of 299.30 g/mol. Its IUPAC name is methyl 2-[(2-oxo-1,3-oxazolidin-3-yl)sulfonylmethyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[(2-oxo-1,3-oxazolidin-3-yl)sulfonylmethyl]benzoate
PubChem CID14988081
Molecular FormulaC12H13NO6S
Molecular Weight299.30 g/mol
Exact Mass299.05
IUPAC Namemethyl 2-[(2-oxo-1,3-oxazolidin-3-yl)sulfonylmethyl]benzoate
SMILESCOC(=O)c1ccccc1CS(=O)(=O)N1CCOC1=O
InChIInChI=1S/C12H13NO6S/c1-18-11(14)10-5-3-2-4-9(10)8-20(16,17)13-6-7-19-12(13)15/h2-5H,6-8H2,1H3
InChIKeyJJAMJHDNSHUWES-UHFFFAOYSA-N
XLogP0.76
TPSA89.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-oxo-1,3-oxazolidin-3-yl)sulfonylmethyl]benzoate?
The IUPAC name of methyl 2-[(2-oxo-1,3-oxazolidin-3-yl)sulfonylmethyl]benzoate (CID 14988081) is methyl 2-[(2-oxo-1,3-oxazolidin-3-yl)sulfonylmethyl]benzoate.
What is the SMILES notation for methyl 2-[(2-oxo-1,3-oxazolidin-3-yl)sulfonylmethyl]benzoate?
The canonical SMILES for methyl 2-[(2-oxo-1,3-oxazolidin-3-yl)sulfonylmethyl]benzoate is COC(=O)c1ccccc1CS(=O)(=O)N1CCOC1=O.
What is the InChIKey of methyl 2-[(2-oxo-1,3-oxazolidin-3-yl)sulfonylmethyl]benzoate?
The InChIKey is JJAMJHDNSHUWES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO6S/c1-18-11(14)10-5-3-2-4-9(10)8-20(16,17)13-6-7-19-12(13)15/h2-5H,6-8H2,1H3.
What are the key properties of methyl 2-[(2-oxo-1,3-oxazolidin-3-yl)sulfonylmethyl]benzoate?
methyl 2-[(2-oxo-1,3-oxazolidin-3-yl)sulfonylmethyl]benzoate has a molecular weight of 299.30 g/mol, XLogP of 0.76, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-oxo-1,3-oxazolidin-3-yl)sulfonylmethyl]benzoate is sourced from PubChem (CID 14988081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).