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

C10H9FN2O6S — CID 102919578

IUPAC4-fluoro-2-[[(4R)-3-oxo-1,2-oxazolidin-4-yl]sulfamoyl]benzoic acid
SMILESO=C(O)c1ccc(F)cc1S(=O)(=O)N[C@@H]1CONC1=O
InChIInChI=1S/C10H9FN2O6S/c11-5-1-2-6(10(15)16)8(3-5)20(17,18)13-7-4-19-12-9(7)14/h1-3,7,13H,4H2,(H,12,14)(H,15,16)/t7-/m1/s1
InChIKeyDNCMYJPJELWYMX-SSDOTTSWSA-N
MW304.26 g/mol
LogP-0.77
Rot. Bonds4

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

4-fluoro-2-[[(4R)-3-oxo-1,2-oxazolidin-4-yl]sulfamoyl]benzoic acid (PubChem CID 102919578) has the molecular formula C10H9FN2O6S and a molecular weight of 304.26 g/mol. Its IUPAC name is 4-fluoro-2-[[(4R)-3-oxo-1,2-oxazolidin-4-yl]sulfamoyl]benzoic acid.

Molecular Properties

Compound Name4-fluoro-2-[[(4R)-3-oxo-1,2-oxazolidin-4-yl]sulfamoyl]benzoic acid
PubChem CID102919578
Molecular FormulaC10H9FN2O6S
Molecular Weight304.26 g/mol
Exact Mass304.02
IUPAC Name4-fluoro-2-[[(4R)-3-oxo-1,2-oxazolidin-4-yl]sulfamoyl]benzoic acid
SMILESO=C(O)c1ccc(F)cc1S(=O)(=O)N[C@@H]1CONC1=O
InChIInChI=1S/C10H9FN2O6S/c11-5-1-2-6(10(15)16)8(3-5)20(17,18)13-7-4-19-12-9(7)14/h1-3,7,13H,4H2,(H,12,14)(H,15,16)/t7-/m1/s1
InChIKeyDNCMYJPJELWYMX-SSDOTTSWSA-N
XLogP-0.77
TPSA121.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.26
LogP ≤ 5-0.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[[(4R)-3-oxo-1,2-oxazolidin-4-yl]sulfamoyl]benzoic acid?
The IUPAC name of 4-fluoro-2-[[(4R)-3-oxo-1,2-oxazolidin-4-yl]sulfamoyl]benzoic acid (CID 102919578) is 4-fluoro-2-[[(4R)-3-oxo-1,2-oxazolidin-4-yl]sulfamoyl]benzoic acid.
What is the SMILES notation for 4-fluoro-2-[[(4R)-3-oxo-1,2-oxazolidin-4-yl]sulfamoyl]benzoic acid?
The canonical SMILES for 4-fluoro-2-[[(4R)-3-oxo-1,2-oxazolidin-4-yl]sulfamoyl]benzoic acid is O=C(O)c1ccc(F)cc1S(=O)(=O)N[C@@H]1CONC1=O.
What is the InChIKey of 4-fluoro-2-[[(4R)-3-oxo-1,2-oxazolidin-4-yl]sulfamoyl]benzoic acid?
The InChIKey is DNCMYJPJELWYMX-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H9FN2O6S/c11-5-1-2-6(10(15)16)8(3-5)20(17,18)13-7-4-19-12-9(7)14/h1-3,7,13H,4H2,(H,12,14)(H,15,16)/t7-/m1/s1.
What are the key properties of 4-fluoro-2-[[(4R)-3-oxo-1,2-oxazolidin-4-yl]sulfamoyl]benzoic acid?
4-fluoro-2-[[(4R)-3-oxo-1,2-oxazolidin-4-yl]sulfamoyl]benzoic acid has a molecular weight of 304.26 g/mol, XLogP of -0.77, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[[(4R)-3-oxo-1,2-oxazolidin-4-yl]sulfamoyl]benzoic acid is sourced from PubChem (CID 102919578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).