methyl 4-fluoro-2-[[(4R)-3-oxo-1,2-oxazolidin-4-yl]sulfamoyl]benzoate

C11H11FN2O6S — CID 102919579

IUPACmethyl 4-fluoro-2-[[(4R)-3-oxo-1,2-oxazolidin-4-yl]sulfamoyl]benzoate
SMILESCOC(=O)c1ccc(F)cc1S(=O)(=O)N[C@@H]1CONC1=O
InChIInChI=1S/C11H11FN2O6S/c1-19-11(16)7-3-2-6(12)4-9(7)21(17,18)14-8-5-20-13-10(8)15/h2-4,8,14H,5H2,1H3,(H,13,15)/t8-/m1/s1
InChIKeyUQSLYKOWDYFAPV-MRVPVSSYSA-N
MW318.28 g/mol
LogP-0.68
Rot. Bonds4

About methyl 4-fluoro-2-[[(4R)-3-oxo-1,2-oxazolidin-4-yl]sulfamoyl]benzoate

methyl 4-fluoro-2-[[(4R)-3-oxo-1,2-oxazolidin-4-yl]sulfamoyl]benzoate (PubChem CID 102919579) has the molecular formula C11H11FN2O6S and a molecular weight of 318.28 g/mol. Its IUPAC name is methyl 4-fluoro-2-[[(4R)-3-oxo-1,2-oxazolidin-4-yl]sulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 4-fluoro-2-[[(4R)-3-oxo-1,2-oxazolidin-4-yl]sulfamoyl]benzoate
PubChem CID102919579
Molecular FormulaC11H11FN2O6S
Molecular Weight318.28 g/mol
Exact Mass318.03
IUPAC Namemethyl 4-fluoro-2-[[(4R)-3-oxo-1,2-oxazolidin-4-yl]sulfamoyl]benzoate
SMILESCOC(=O)c1ccc(F)cc1S(=O)(=O)N[C@@H]1CONC1=O
InChIInChI=1S/C11H11FN2O6S/c1-19-11(16)7-3-2-6(12)4-9(7)21(17,18)14-8-5-20-13-10(8)15/h2-4,8,14H,5H2,1H3,(H,13,15)/t8-/m1/s1
InChIKeyUQSLYKOWDYFAPV-MRVPVSSYSA-N
XLogP-0.68
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.28
LogP ≤ 5-0.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 4-fluoro-2-[[(4R)-3-oxo-1,2-oxazolidin-4-yl]sulfamoyl]benzoate with MolForge

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Related Compounds

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methyl 4-fluoro-2-(thiolan-3-ylsulfamoyl)benzoate
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methyl 4-fluoro-2-[(1-methylpyrrolidin-3-yl)sulfamoyl]benzoate
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methyl 2-(cyclopentyloxysulfamoyl)-4-fluorobenzoate
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methyl 4-fluoro-2-(2-methylpentan-2-ylsulfamoyl)benzoate
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methyl 2-[cyclopropyl(methyl)sulfamoyl]-4-fluorobenzoate
CID 113230618
methyl 4-fluoro-2-(pyrrol-1-ylsulfamoyl)benzoate
CID 102919571
methyl 4-fluoro-2-[2-(methylamino)ethylsulfamoyl]benzoate
CID 119973384
methyl 4-fluoro-2-[(1-hydroxy-2-methylbutan-2-yl)sulfamoyl]benzoate
CID 102919553
methyl 2-(3-cyclopropylpropylsulfamoyl)-4-fluorobenzoate
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methyl 4-fluoro-2-(1-methoxypropan-2-ylsulfamoyl)benzoate
CID 103833409

Frequently Asked Questions

What is the IUPAC name of methyl 4-fluoro-2-[[(4R)-3-oxo-1,2-oxazolidin-4-yl]sulfamoyl]benzoate?
The IUPAC name of methyl 4-fluoro-2-[[(4R)-3-oxo-1,2-oxazolidin-4-yl]sulfamoyl]benzoate (CID 102919579) is methyl 4-fluoro-2-[[(4R)-3-oxo-1,2-oxazolidin-4-yl]sulfamoyl]benzoate.
What is the SMILES notation for methyl 4-fluoro-2-[[(4R)-3-oxo-1,2-oxazolidin-4-yl]sulfamoyl]benzoate?
The canonical SMILES for methyl 4-fluoro-2-[[(4R)-3-oxo-1,2-oxazolidin-4-yl]sulfamoyl]benzoate is COC(=O)c1ccc(F)cc1S(=O)(=O)N[C@@H]1CONC1=O.
What is the InChIKey of methyl 4-fluoro-2-[[(4R)-3-oxo-1,2-oxazolidin-4-yl]sulfamoyl]benzoate?
The InChIKey is UQSLYKOWDYFAPV-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H11FN2O6S/c1-19-11(16)7-3-2-6(12)4-9(7)21(17,18)14-8-5-20-13-10(8)15/h2-4,8,14H,5H2,1H3,(H,13,15)/t8-/m1/s1.
What are the key properties of methyl 4-fluoro-2-[[(4R)-3-oxo-1,2-oxazolidin-4-yl]sulfamoyl]benzoate?
methyl 4-fluoro-2-[[(4R)-3-oxo-1,2-oxazolidin-4-yl]sulfamoyl]benzoate has a molecular weight of 318.28 g/mol, XLogP of -0.68, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-fluoro-2-[[(4R)-3-oxo-1,2-oxazolidin-4-yl]sulfamoyl]benzoate is sourced from PubChem (CID 102919579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).