5-[[1-(2-methoxyethyl)pyrazol-4-yl]sulfamoyl]furan-2-carboxylic acid

C11H13N3O6S — CID 43715641

IUPAC5-[[1-(2-methoxyethyl)pyrazol-4-yl]sulfamoyl]furan-2-carboxylic acid
SMILESCOCCn1cc(NS(=O)(=O)c2ccc(C(=O)O)o2)cn1
InChIInChI=1S/C11H13N3O6S/c1-19-5-4-14-7-8(6-12-14)13-21(17,18)10-3-2-9(20-10)11(15)16/h2-3,6-7,13H,4-5H2,1H3,(H,15,16)
InChIKeyZNEUIZBJYITZHH-UHFFFAOYSA-N
MW315.31 g/mol
LogP0.62
Rot. Bonds7

About 5-[[1-(2-methoxyethyl)pyrazol-4-yl]sulfamoyl]furan-2-carboxylic acid

5-[[1-(2-methoxyethyl)pyrazol-4-yl]sulfamoyl]furan-2-carboxylic acid (PubChem CID 43715641) has the molecular formula C11H13N3O6S and a molecular weight of 315.31 g/mol. Its IUPAC name is 5-[[1-(2-methoxyethyl)pyrazol-4-yl]sulfamoyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[[1-(2-methoxyethyl)pyrazol-4-yl]sulfamoyl]furan-2-carboxylic acid
PubChem CID43715641
Molecular FormulaC11H13N3O6S
Molecular Weight315.31 g/mol
Exact Mass315.05
IUPAC Name5-[[1-(2-methoxyethyl)pyrazol-4-yl]sulfamoyl]furan-2-carboxylic acid
SMILESCOCCn1cc(NS(=O)(=O)c2ccc(C(=O)O)o2)cn1
InChIInChI=1S/C11H13N3O6S/c1-19-5-4-14-7-8(6-12-14)13-21(17,18)10-3-2-9(20-10)11(15)16/h2-3,6-7,13H,4-5H2,1H3,(H,15,16)
InChIKeyZNEUIZBJYITZHH-UHFFFAOYSA-N
XLogP0.62
TPSA123.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.31
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[[1-(2-methoxyethyl)pyrazol-4-yl]sulfamoyl]furan-2-carboxylic acid?
The IUPAC name of 5-[[1-(2-methoxyethyl)pyrazol-4-yl]sulfamoyl]furan-2-carboxylic acid (CID 43715641) is 5-[[1-(2-methoxyethyl)pyrazol-4-yl]sulfamoyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[[1-(2-methoxyethyl)pyrazol-4-yl]sulfamoyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[[1-(2-methoxyethyl)pyrazol-4-yl]sulfamoyl]furan-2-carboxylic acid is COCCn1cc(NS(=O)(=O)c2ccc(C(=O)O)o2)cn1.
What is the InChIKey of 5-[[1-(2-methoxyethyl)pyrazol-4-yl]sulfamoyl]furan-2-carboxylic acid?
The InChIKey is ZNEUIZBJYITZHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O6S/c1-19-5-4-14-7-8(6-12-14)13-21(17,18)10-3-2-9(20-10)11(15)16/h2-3,6-7,13H,4-5H2,1H3,(H,15,16).
What are the key properties of 5-[[1-(2-methoxyethyl)pyrazol-4-yl]sulfamoyl]furan-2-carboxylic acid?
5-[[1-(2-methoxyethyl)pyrazol-4-yl]sulfamoyl]furan-2-carboxylic acid has a molecular weight of 315.31 g/mol, XLogP of 0.62, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(2-methoxyethyl)pyrazol-4-yl]sulfamoyl]furan-2-carboxylic acid is sourced from PubChem (CID 43715641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).