4-methyl-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)benzoic acid

C12H14N2O5S — CID 168717675

IUPAC4-methyl-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)benzoic acid
SMILESCc1ccc(C(=O)O)c(N2CC(S(N)(=O)=O)CC2=O)c1
InChIInChI=1S/C12H14N2O5S/c1-7-2-3-9(12(16)17)10(4-7)14-6-8(5-11(14)15)20(13,18)19/h2-4,8H,5-6H2,1H3,(H,16,17)(H2,13,18,19)
InChIKeyGWECXIXMUHHSTL-UHFFFAOYSA-N
MW298.32 g/mol
LogP0.09
Rot. Bonds3

About 4-methyl-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)benzoic acid

4-methyl-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)benzoic acid (PubChem CID 168717675) has the molecular formula C12H14N2O5S and a molecular weight of 298.32 g/mol. Its IUPAC name is 4-methyl-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)benzoic acid.

Molecular Properties

Compound Name4-methyl-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)benzoic acid
PubChem CID168717675
Molecular FormulaC12H14N2O5S
Molecular Weight298.32 g/mol
Exact Mass298.06
IUPAC Name4-methyl-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)benzoic acid
SMILESCc1ccc(C(=O)O)c(N2CC(S(N)(=O)=O)CC2=O)c1
InChIInChI=1S/C12H14N2O5S/c1-7-2-3-9(12(16)17)10(4-7)14-6-8(5-11(14)15)20(13,18)19/h2-4,8H,5-6H2,1H3,(H,16,17)(H2,13,18,19)
InChIKeyGWECXIXMUHHSTL-UHFFFAOYSA-N
XLogP0.09
TPSA117.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)terephthalic acid
CID 168718651
4-nitro-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)benzoic acid
CID 168718684
1-[2-(hydroxymethyl)-4-methylphenyl]-5-oxopyrrolidine-3-sulfonamide
CID 168717669
1-[5-methyl-2-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-sulfonamide
CID 168717866
2,4-difluoro-5-(2-oxo-4-sulfamoylpyrrolidin-1-yl)benzoic acid
CID 168718624
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
3-amino-4-(2-oxo-4-sulfamoylpyrrolidin-1-yl)benzenesulfonic acid
CID 168718964
1-(2-bromo-5-methyl-3-pyridinyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717714
2-nitro-4-(2-oxo-4-sulfamoylpyrrolidin-1-yl)benzoic acid
CID 168718770
1-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717870
3,5-difluoro-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)benzoic acid
CID 168718486

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)benzoic acid?
The IUPAC name of 4-methyl-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)benzoic acid (CID 168717675) is 4-methyl-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)benzoic acid.
What is the SMILES notation for 4-methyl-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)benzoic acid?
The canonical SMILES for 4-methyl-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)benzoic acid is Cc1ccc(C(=O)O)c(N2CC(S(N)(=O)=O)CC2=O)c1.
What is the InChIKey of 4-methyl-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)benzoic acid?
The InChIKey is GWECXIXMUHHSTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O5S/c1-7-2-3-9(12(16)17)10(4-7)14-6-8(5-11(14)15)20(13,18)19/h2-4,8H,5-6H2,1H3,(H,16,17)(H2,13,18,19).
What are the key properties of 4-methyl-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)benzoic acid?
4-methyl-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)benzoic acid has a molecular weight of 298.32 g/mol, XLogP of 0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)benzoic acid is sourced from PubChem (CID 168717675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).