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

C11H10F2N2O5S — CID 168718624

IUPAC2,4-difluoro-5-(2-oxo-4-sulfamoylpyrrolidin-1-yl)benzoic acid
SMILESNS(=O)(=O)C1CC(=O)N(c2cc(C(=O)O)c(F)cc2F)C1
InChIInChI=1S/C11H10F2N2O5S/c12-7-3-8(13)9(2-6(7)11(17)18)15-4-5(1-10(15)16)21(14,19)20/h2-3,5H,1,4H2,(H,17,18)(H2,14,19,20)
InChIKeyVLGSNKPMZQDDLN-UHFFFAOYSA-N
MW320.27 g/mol
LogP0.06
Rot. Bonds3

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

2,4-difluoro-5-(2-oxo-4-sulfamoylpyrrolidin-1-yl)benzoic acid (PubChem CID 168718624) has the molecular formula C11H10F2N2O5S and a molecular weight of 320.27 g/mol. Its IUPAC name is 2,4-difluoro-5-(2-oxo-4-sulfamoylpyrrolidin-1-yl)benzoic acid.

Molecular Properties

Compound Name2,4-difluoro-5-(2-oxo-4-sulfamoylpyrrolidin-1-yl)benzoic acid
PubChem CID168718624
Molecular FormulaC11H10F2N2O5S
Molecular Weight320.27 g/mol
Exact Mass320.03
IUPAC Name2,4-difluoro-5-(2-oxo-4-sulfamoylpyrrolidin-1-yl)benzoic acid
SMILESNS(=O)(=O)C1CC(=O)N(c2cc(C(=O)O)c(F)cc2F)C1
InChIInChI=1S/C11H10F2N2O5S/c12-7-3-8(13)9(2-6(7)11(17)18)15-4-5(1-10(15)16)21(14,19)20/h2-3,5H,1,4H2,(H,17,18)(H2,14,19,20)
InChIKeyVLGSNKPMZQDDLN-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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Related Compounds

2,5-difluoro-4-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)benzoic acid
CID 168715301
5-(4-amino-2-oxopyrrolidin-1-yl)-2,4-difluorobenzoic acid
CID 168700498
2,4-difluoro-5-(4-hydroxy-2-oxopyrrolidin-1-yl)benzoic acid
CID 168703274
3,5-difluoro-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)benzoic acid
CID 168718486
5-(4-carbamoyl-2-oxopyrrolidin-1-yl)-2,4-difluorobenzoic acid
CID 168697665
5-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-2,4-difluorobenzoic acid
CID 168660568
methyl 2-fluoro-4-methyl-5-(2-oxo-4-sulfamoylpyrrolidin-1-yl)benzoate
CID 168717592
2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)terephthalic acid
CID 168718651
4-methyl-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)benzoic acid
CID 168717675
4-nitro-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)benzoic acid
CID 168718684
5-oxo-1-(2,3,4-trifluorophenyl)pyrrolidine-3-sulfonamide
CID 168718544
1-(2-amino-4-bromo-5-fluorophenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168718565

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-5-(2-oxo-4-sulfamoylpyrrolidin-1-yl)benzoic acid?
The IUPAC name of 2,4-difluoro-5-(2-oxo-4-sulfamoylpyrrolidin-1-yl)benzoic acid (CID 168718624) is 2,4-difluoro-5-(2-oxo-4-sulfamoylpyrrolidin-1-yl)benzoic acid.
What is the SMILES notation for 2,4-difluoro-5-(2-oxo-4-sulfamoylpyrrolidin-1-yl)benzoic acid?
The canonical SMILES for 2,4-difluoro-5-(2-oxo-4-sulfamoylpyrrolidin-1-yl)benzoic acid is NS(=O)(=O)C1CC(=O)N(c2cc(C(=O)O)c(F)cc2F)C1.
What is the InChIKey of 2,4-difluoro-5-(2-oxo-4-sulfamoylpyrrolidin-1-yl)benzoic acid?
The InChIKey is VLGSNKPMZQDDLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N2O5S/c12-7-3-8(13)9(2-6(7)11(17)18)15-4-5(1-10(15)16)21(14,19)20/h2-3,5H,1,4H2,(H,17,18)(H2,14,19,20).
What are the key properties of 2,4-difluoro-5-(2-oxo-4-sulfamoylpyrrolidin-1-yl)benzoic acid?
2,4-difluoro-5-(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 2,4-difluoro-5-(2-oxo-4-sulfamoylpyrrolidin-1-yl)benzoic acid is sourced from PubChem (CID 168718624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).