3-methoxy-4-[(5-oxopyrrolidin-3-yl)sulfamoyl]benzoic acid

C12H14N2O6S — CID 106185328

IUPAC3-methoxy-4-[(5-oxopyrrolidin-3-yl)sulfamoyl]benzoic acid
SMILESCOc1cc(C(=O)O)ccc1S(=O)(=O)NC1CNC(=O)C1
InChIInChI=1S/C12H14N2O6S/c1-20-9-4-7(12(16)17)2-3-10(9)21(18,19)14-8-5-11(15)13-6-8/h2-4,8,14H,5-6H2,1H3,(H,13,15)(H,16,17)
InChIKeyNFOFURWBEDWRQQ-UHFFFAOYSA-N
MW314.32 g/mol
LogP-0.44
Rot. Bonds5

About 3-methoxy-4-[(5-oxopyrrolidin-3-yl)sulfamoyl]benzoic acid

3-methoxy-4-[(5-oxopyrrolidin-3-yl)sulfamoyl]benzoic acid (PubChem CID 106185328) has the molecular formula C12H14N2O6S and a molecular weight of 314.32 g/mol. Its IUPAC name is 3-methoxy-4-[(5-oxopyrrolidin-3-yl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name3-methoxy-4-[(5-oxopyrrolidin-3-yl)sulfamoyl]benzoic acid
PubChem CID106185328
Molecular FormulaC12H14N2O6S
Molecular Weight314.32 g/mol
Exact Mass314.06
IUPAC Name3-methoxy-4-[(5-oxopyrrolidin-3-yl)sulfamoyl]benzoic acid
SMILESCOc1cc(C(=O)O)ccc1S(=O)(=O)NC1CNC(=O)C1
InChIInChI=1S/C12H14N2O6S/c1-20-9-4-7(12(16)17)2-3-10(9)21(18,19)14-8-5-11(15)13-6-8/h2-4,8,14H,5-6H2,1H3,(H,13,15)(H,16,17)
InChIKeyNFOFURWBEDWRQQ-UHFFFAOYSA-N
XLogP-0.44
TPSA121.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 5-0.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-(cyclopentylsulfamoyl)-3-methoxybenzoic acid
CID 102694641
3-methoxy-4-(thian-4-ylsulfamoyl)benzoic acid
CID 102695480
4-[(2,2-dimethylcyclopropyl)sulfamoyl]-3-methoxybenzoic acid
CID 102694792
5-amino-4-bromo-2-methoxy-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide
CID 106181148
3-(cyclobutylsulfamoyl)-4-methoxybenzoic acid
CID 55067218
methyl 3-methoxy-4-(piperidin-4-ylsulfamoyl)benzoate
CID 120706280
3-methoxy-4-[(2,4,5-trimethyloxolan-3-yl)sulfamoyl]benzoic acid
CID 146107866
3-methoxy-4-[(1-methylcyclopropyl)sulfamoyl]benzoic acid
CID 102695439
methyl 4-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)-3-methoxybenzoate;hydrochloride
CID 120707728
3-cyclopentyloxy-4-methoxy-N-[(3S)-5-oxopyrrolidin-3-yl]benzamide
CID 10313807
3-methoxy-4-(phenylsulfamoyl)benzoic acid
CID 102694630
methyl 4-[[(3R)-5-oxopyrrolidin-3-yl]carbamoyl]benzoate
CID 95984956

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-[(5-oxopyrrolidin-3-yl)sulfamoyl]benzoic acid?
The IUPAC name of 3-methoxy-4-[(5-oxopyrrolidin-3-yl)sulfamoyl]benzoic acid (CID 106185328) is 3-methoxy-4-[(5-oxopyrrolidin-3-yl)sulfamoyl]benzoic acid.
What is the SMILES notation for 3-methoxy-4-[(5-oxopyrrolidin-3-yl)sulfamoyl]benzoic acid?
The canonical SMILES for 3-methoxy-4-[(5-oxopyrrolidin-3-yl)sulfamoyl]benzoic acid is COc1cc(C(=O)O)ccc1S(=O)(=O)NC1CNC(=O)C1.
What is the InChIKey of 3-methoxy-4-[(5-oxopyrrolidin-3-yl)sulfamoyl]benzoic acid?
The InChIKey is NFOFURWBEDWRQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O6S/c1-20-9-4-7(12(16)17)2-3-10(9)21(18,19)14-8-5-11(15)13-6-8/h2-4,8,14H,5-6H2,1H3,(H,13,15)(H,16,17).
What are the key properties of 3-methoxy-4-[(5-oxopyrrolidin-3-yl)sulfamoyl]benzoic acid?
3-methoxy-4-[(5-oxopyrrolidin-3-yl)sulfamoyl]benzoic acid has a molecular weight of 314.32 g/mol, XLogP of -0.44, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-[(5-oxopyrrolidin-3-yl)sulfamoyl]benzoic acid is sourced from PubChem (CID 106185328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).