2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)terephthalic acid

C12H12N2O7S — CID 168718651

IUPAC2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)terephthalic acid
SMILESNS(=O)(=O)C1CC(=O)N(c2cc(C(=O)O)ccc2C(=O)O)C1
InChIInChI=1S/C12H12N2O7S/c13-22(20,21)7-4-10(15)14(5-7)9-3-6(11(16)17)1-2-8(9)12(18)19/h1-3,7H,4-5H2,(H,16,17)(H,18,19)(H2,13,20,21)
InChIKeyGDADXTAFUZTKRG-UHFFFAOYSA-N
MW328.30 g/mol
LogP-0.52
Rot. Bonds4

About 2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)terephthalic acid

2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)terephthalic acid (PubChem CID 168718651) has the molecular formula C12H12N2O7S and a molecular weight of 328.30 g/mol. Its IUPAC name is 2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)terephthalic acid.

Molecular Properties

Compound Name2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)terephthalic acid
PubChem CID168718651
Molecular FormulaC12H12N2O7S
Molecular Weight328.30 g/mol
Exact Mass328.04
IUPAC Name2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)terephthalic acid
SMILESNS(=O)(=O)C1CC(=O)N(c2cc(C(=O)O)ccc2C(=O)O)C1
InChIInChI=1S/C12H12N2O7S/c13-22(20,21)7-4-10(15)14(5-7)9-3-6(11(16)17)1-2-8(9)12(18)19/h1-3,7H,4-5H2,(H,16,17)(H,18,19)(H2,13,20,21)
InChIKeyGDADXTAFUZTKRG-UHFFFAOYSA-N
XLogP-0.52
TPSA155.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.30
LogP ≤ 5-0.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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
2-(4-hydroxy-2-oxopyrrolidin-1-yl)terephthalic acid
CID 168703296
2,4-difluoro-5-(2-oxo-4-sulfamoylpyrrolidin-1-yl)benzoic acid
CID 168718624
3-amino-4-(2-oxo-4-sulfamoylpyrrolidin-1-yl)benzenesulfonic acid
CID 168718964
methyl 4-bromo-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)benzoate
CID 168717276
methyl 4-chloro-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)benzoate
CID 168717278
2-nitro-4-(2-oxo-4-sulfamoylpyrrolidin-1-yl)benzoic acid
CID 168718770
3,5-difluoro-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)benzoic acid
CID 168718486
3-(4-amino-2-oxopyrrolidin-1-yl)-4-methoxycarbonylbenzoic acid
CID 168699449
3-bromo-6-(2-oxo-4-sulfamoylpyrrolidin-1-yl)pyridine-2-carboxylic acid
CID 168718856
6-(2-oxo-4-sulfamoylpyrrolidin-1-yl)pyridine-2-carboxylic acid
CID 168719374

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)terephthalic acid?
The IUPAC name of 2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)terephthalic acid (CID 168718651) is 2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)terephthalic acid.
What is the SMILES notation for 2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)terephthalic acid?
The canonical SMILES for 2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)terephthalic acid is NS(=O)(=O)C1CC(=O)N(c2cc(C(=O)O)ccc2C(=O)O)C1.
What is the InChIKey of 2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)terephthalic acid?
The InChIKey is GDADXTAFUZTKRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O7S/c13-22(20,21)7-4-10(15)14(5-7)9-3-6(11(16)17)1-2-8(9)12(18)19/h1-3,7H,4-5H2,(H,16,17)(H,18,19)(H2,13,20,21).
What are the key properties of 2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)terephthalic acid?
2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)terephthalic acid has a molecular weight of 328.30 g/mol, XLogP of -0.52, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)terephthalic acid is sourced from PubChem (CID 168718651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).