2,6-difluoro-3-[[(4R)-3-oxo-1,2-oxazolidin-4-yl]sulfamoyl]benzoic acid

C10H8F2N2O6S — CID 79531273

IUPAC2,6-difluoro-3-[[(4R)-3-oxo-1,2-oxazolidin-4-yl]sulfamoyl]benzoic acid
SMILESO=C(O)c1c(F)ccc(S(=O)(=O)N[C@@H]2CONC2=O)c1F
InChIInChI=1S/C10H8F2N2O6S/c11-4-1-2-6(8(12)7(4)10(16)17)21(18,19)14-5-3-20-13-9(5)15/h1-2,5,14H,3H2,(H,13,15)(H,16,17)/t5-/m1/s1
InChIKeySNJIJUOYYUHZAW-RXMQYKEDSA-N
MW322.25 g/mol
LogP-0.63
Rot. Bonds4

About 2,6-difluoro-3-[[(4R)-3-oxo-1,2-oxazolidin-4-yl]sulfamoyl]benzoic acid

2,6-difluoro-3-[[(4R)-3-oxo-1,2-oxazolidin-4-yl]sulfamoyl]benzoic acid (PubChem CID 79531273) has the molecular formula C10H8F2N2O6S and a molecular weight of 322.25 g/mol. Its IUPAC name is 2,6-difluoro-3-[[(4R)-3-oxo-1,2-oxazolidin-4-yl]sulfamoyl]benzoic acid.

Molecular Properties

Compound Name2,6-difluoro-3-[[(4R)-3-oxo-1,2-oxazolidin-4-yl]sulfamoyl]benzoic acid
PubChem CID79531273
Molecular FormulaC10H8F2N2O6S
Molecular Weight322.25 g/mol
Exact Mass322.01
IUPAC Name2,6-difluoro-3-[[(4R)-3-oxo-1,2-oxazolidin-4-yl]sulfamoyl]benzoic acid
SMILESO=C(O)c1c(F)ccc(S(=O)(=O)N[C@@H]2CONC2=O)c1F
InChIInChI=1S/C10H8F2N2O6S/c11-4-1-2-6(8(12)7(4)10(16)17)21(18,19)14-5-3-20-13-9(5)15/h1-2,5,14H,3H2,(H,13,15)(H,16,17)/t5-/m1/s1
InChIKeySNJIJUOYYUHZAW-RXMQYKEDSA-N
XLogP-0.63
TPSA121.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.25
LogP ≤ 5-0.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-3-[[(4R)-3-oxo-1,2-oxazolidin-4-yl]sulfamoyl]benzoic acid?
The IUPAC name of 2,6-difluoro-3-[[(4R)-3-oxo-1,2-oxazolidin-4-yl]sulfamoyl]benzoic acid (CID 79531273) is 2,6-difluoro-3-[[(4R)-3-oxo-1,2-oxazolidin-4-yl]sulfamoyl]benzoic acid.
What is the SMILES notation for 2,6-difluoro-3-[[(4R)-3-oxo-1,2-oxazolidin-4-yl]sulfamoyl]benzoic acid?
The canonical SMILES for 2,6-difluoro-3-[[(4R)-3-oxo-1,2-oxazolidin-4-yl]sulfamoyl]benzoic acid is O=C(O)c1c(F)ccc(S(=O)(=O)N[C@@H]2CONC2=O)c1F.
What is the InChIKey of 2,6-difluoro-3-[[(4R)-3-oxo-1,2-oxazolidin-4-yl]sulfamoyl]benzoic acid?
The InChIKey is SNJIJUOYYUHZAW-RXMQYKEDSA-N. The full InChI is InChI=1S/C10H8F2N2O6S/c11-4-1-2-6(8(12)7(4)10(16)17)21(18,19)14-5-3-20-13-9(5)15/h1-2,5,14H,3H2,(H,13,15)(H,16,17)/t5-/m1/s1.
What are the key properties of 2,6-difluoro-3-[[(4R)-3-oxo-1,2-oxazolidin-4-yl]sulfamoyl]benzoic acid?
2,6-difluoro-3-[[(4R)-3-oxo-1,2-oxazolidin-4-yl]sulfamoyl]benzoic acid has a molecular weight of 322.25 g/mol, XLogP of -0.63, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-3-[[(4R)-3-oxo-1,2-oxazolidin-4-yl]sulfamoyl]benzoic acid is sourced from PubChem (CID 79531273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).