4-[(1-ethylpyrazol-4-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid

C11H13N3O5S — CID 62803088

IUPAC4-[(1-ethylpyrazol-4-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid
SMILESCCn1cc(NS(=O)(=O)c2cc(C(=O)O)oc2C)cn1
InChIInChI=1S/C11H13N3O5S/c1-3-14-6-8(5-12-14)13-20(17,18)10-4-9(11(15)16)19-7(10)2/h4-6,13H,3H2,1-2H3,(H,15,16)
InChIKeyBKAIYUDXLFPOSK-UHFFFAOYSA-N
MW299.31 g/mol
LogP1.30
Rot. Bonds5

About 4-[(1-ethylpyrazol-4-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid

4-[(1-ethylpyrazol-4-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid (PubChem CID 62803088) has the molecular formula C11H13N3O5S and a molecular weight of 299.31 g/mol. Its IUPAC name is 4-[(1-ethylpyrazol-4-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid.

Molecular Properties

Compound Name4-[(1-ethylpyrazol-4-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid
PubChem CID62803088
Molecular FormulaC11H13N3O5S
Molecular Weight299.31 g/mol
Exact Mass299.06
IUPAC Name4-[(1-ethylpyrazol-4-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid
SMILESCCn1cc(NS(=O)(=O)c2cc(C(=O)O)oc2C)cn1
InChIInChI=1S/C11H13N3O5S/c1-3-14-6-8(5-12-14)13-20(17,18)10-4-9(11(15)16)19-7(10)2/h4-6,13H,3H2,1-2H3,(H,15,16)
InChIKeyBKAIYUDXLFPOSK-UHFFFAOYSA-N
XLogP1.30
TPSA114.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-ethylpyrazol-4-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid?
The IUPAC name of 4-[(1-ethylpyrazol-4-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid (CID 62803088) is 4-[(1-ethylpyrazol-4-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid.
What is the SMILES notation for 4-[(1-ethylpyrazol-4-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid?
The canonical SMILES for 4-[(1-ethylpyrazol-4-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid is CCn1cc(NS(=O)(=O)c2cc(C(=O)O)oc2C)cn1.
What is the InChIKey of 4-[(1-ethylpyrazol-4-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid?
The InChIKey is BKAIYUDXLFPOSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O5S/c1-3-14-6-8(5-12-14)13-20(17,18)10-4-9(11(15)16)19-7(10)2/h4-6,13H,3H2,1-2H3,(H,15,16).
What are the key properties of 4-[(1-ethylpyrazol-4-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid?
4-[(1-ethylpyrazol-4-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid has a molecular weight of 299.31 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-ethylpyrazol-4-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid is sourced from PubChem (CID 62803088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).