3,5-difluoro-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)benzoic acid

C11H10F2N2O5S — CID 168718486

IUPAC3,5-difluoro-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)benzoic acid
SMILESNS(=O)(=O)C1CC(=O)N(c2c(F)cc(F)cc2C(=O)O)C1
InChIInChI=1S/C11H10F2N2O5S/c12-5-1-7(11(17)18)10(8(13)2-5)15-4-6(3-9(15)16)21(14,19)20/h1-2,6H,3-4H2,(H,17,18)(H2,14,19,20)
InChIKeyDOEVQQYRUUXZTM-UHFFFAOYSA-N
MW320.27 g/mol
LogP0.06
Rot. Bonds3

About 3,5-difluoro-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)benzoic acid

3,5-difluoro-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)benzoic acid (PubChem CID 168718486) has the molecular formula C11H10F2N2O5S and a molecular weight of 320.27 g/mol. Its IUPAC name is 3,5-difluoro-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)benzoic acid.

Molecular Properties

Compound Name3,5-difluoro-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)benzoic acid
PubChem CID168718486
Molecular FormulaC11H10F2N2O5S
Molecular Weight320.27 g/mol
Exact Mass320.03
IUPAC Name3,5-difluoro-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)benzoic acid
SMILESNS(=O)(=O)C1CC(=O)N(c2c(F)cc(F)cc2C(=O)O)C1
InChIInChI=1S/C11H10F2N2O5S/c12-5-1-7(11(17)18)10(8(13)2-5)15-4-6(3-9(15)16)21(14,19)20/h1-2,6H,3-4H2,(H,17,18)(H2,14,19,20)
InChIKeyDOEVQQYRUUXZTM-UHFFFAOYSA-N
XLogP0.06
TPSA117.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.27
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)benzoic acid?
The IUPAC name of 3,5-difluoro-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)benzoic acid (CID 168718486) is 3,5-difluoro-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)benzoic acid.
What is the SMILES notation for 3,5-difluoro-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)benzoic acid?
The canonical SMILES for 3,5-difluoro-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)benzoic acid is NS(=O)(=O)C1CC(=O)N(c2c(F)cc(F)cc2C(=O)O)C1.
What is the InChIKey of 3,5-difluoro-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)benzoic acid?
The InChIKey is DOEVQQYRUUXZTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N2O5S/c12-5-1-7(11(17)18)10(8(13)2-5)15-4-6(3-9(15)16)21(14,19)20/h1-2,6H,3-4H2,(H,17,18)(H2,14,19,20).
What are the key properties of 3,5-difluoro-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)benzoic acid?
3,5-difluoro-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)benzoic acid has a molecular weight of 320.27 g/mol, XLogP of 0.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)benzoic acid is sourced from PubChem (CID 168718486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).