(2-hydroxy-5-oxopyrrolidin-1-yl) 4-sulfamoylbenzoate

C11H12N2O6S — CID 178016929

IUPAC(2-hydroxy-5-oxopyrrolidin-1-yl) 4-sulfamoylbenzoate
SMILESNS(=O)(=O)c1ccc(C(=O)ON2C(=O)CCC2O)cc1
InChIInChI=1S/C11H12N2O6S/c12-20(17,18)8-3-1-7(2-4-8)11(16)19-13-9(14)5-6-10(13)15/h1-4,9,14H,5-6H2,(H2,12,17,18)
InChIKeyMTXAEPLPBCJURJ-UHFFFAOYSA-N
MW300.29 g/mol
LogP-0.65
Rot. Bonds3

About (2-hydroxy-5-oxopyrrolidin-1-yl) 4-sulfamoylbenzoate

(2-hydroxy-5-oxopyrrolidin-1-yl) 4-sulfamoylbenzoate (PubChem CID 178016929) has the molecular formula C11H12N2O6S and a molecular weight of 300.29 g/mol. Its IUPAC name is (2-hydroxy-5-oxopyrrolidin-1-yl) 4-sulfamoylbenzoate.

Molecular Properties

Compound Name(2-hydroxy-5-oxopyrrolidin-1-yl) 4-sulfamoylbenzoate
PubChem CID178016929
Molecular FormulaC11H12N2O6S
Molecular Weight300.29 g/mol
Exact Mass300.04
IUPAC Name(2-hydroxy-5-oxopyrrolidin-1-yl) 4-sulfamoylbenzoate
SMILESNS(=O)(=O)c1ccc(C(=O)ON2C(=O)CCC2O)cc1
InChIInChI=1S/C11H12N2O6S/c12-20(17,18)8-3-1-7(2-4-8)11(16)19-13-9(14)5-6-10(13)15/h1-4,9,14H,5-6H2,(H2,12,17,18)
InChIKeyMTXAEPLPBCJURJ-UHFFFAOYSA-N
XLogP-0.65
TPSA127.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.29
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(1-hydroxy-2,5-dioxopyrrolidin-1-ium-1-yl) 4-sulfamoylbenzoate
CID 87209138
(2-hydroxy-5-oxopyrrolidin-1-yl) 2-(4-fluorosulfonyloxyphenyl)propanoate
CID 166157782
(2-hydroxy-5-oxopyrrolidin-1-yl) 2-iodoethyl carbonate
CID 156562908
methyl 4-(4-sulfamoylphenyl)benzoate
CID 122194771
4-sulfamoylbenzoyl iodide
CID 88945846
4-[4-(2,4-dioxo-1,3-thiazolidin-3-yl)piperidine-1-carbonyl]benzenesulfonamide
CID 121157013
(2-hydroxy-5-oxopyrrolidin-1-yl) 3-(2-hydroxy-5-oxopyrrolidin-1-yl)propanoate
CID 166715042
potassium 4-sulfamoylbenzoate
CID 23684074
ethyl 4-[(3R)-2,5-dioxo-3-[(4-sulfamoylphenyl)methylamino]pyrrolidin-1-yl]benzoate
CID 2230774
N-(cyclobutylmethyl)-4-sulfamoylbenzamide
CID 43298916
butyl 4-sulfamoylbenzoate
CID 23274639
1,3-dinitrooxypropan-2-yl 4-sulfamoylbenzoate
CID 25132396

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-5-oxopyrrolidin-1-yl) 4-sulfamoylbenzoate?
The IUPAC name of (2-hydroxy-5-oxopyrrolidin-1-yl) 4-sulfamoylbenzoate (CID 178016929) is (2-hydroxy-5-oxopyrrolidin-1-yl) 4-sulfamoylbenzoate.
What is the SMILES notation for (2-hydroxy-5-oxopyrrolidin-1-yl) 4-sulfamoylbenzoate?
The canonical SMILES for (2-hydroxy-5-oxopyrrolidin-1-yl) 4-sulfamoylbenzoate is NS(=O)(=O)c1ccc(C(=O)ON2C(=O)CCC2O)cc1.
What is the InChIKey of (2-hydroxy-5-oxopyrrolidin-1-yl) 4-sulfamoylbenzoate?
The InChIKey is MTXAEPLPBCJURJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O6S/c12-20(17,18)8-3-1-7(2-4-8)11(16)19-13-9(14)5-6-10(13)15/h1-4,9,14H,5-6H2,(H2,12,17,18).
What are the key properties of (2-hydroxy-5-oxopyrrolidin-1-yl) 4-sulfamoylbenzoate?
(2-hydroxy-5-oxopyrrolidin-1-yl) 4-sulfamoylbenzoate has a molecular weight of 300.29 g/mol, XLogP of -0.65, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-5-oxopyrrolidin-1-yl) 4-sulfamoylbenzoate is sourced from PubChem (CID 178016929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).