5-[(1,3,5-trimethylpyrazol-4-yl)sulfamoyl]furan-2-carboxylic acid

C11H13N3O5S — CID 43361758

IUPAC5-[(1,3,5-trimethylpyrazol-4-yl)sulfamoyl]furan-2-carboxylic acid
SMILESCc1nn(C)c(C)c1NS(=O)(=O)c1ccc(C(=O)O)o1
InChIInChI=1S/C11H13N3O5S/c1-6-10(7(2)14(3)12-6)13-20(17,18)9-5-4-8(19-9)11(15)16/h4-5,13H,1-3H3,(H,15,16)
InChIKeyKCWMNQUUXLWJFT-UHFFFAOYSA-N
MW299.31 g/mol
LogP1.13
Rot. Bonds4

About 5-[(1,3,5-trimethylpyrazol-4-yl)sulfamoyl]furan-2-carboxylic acid

5-[(1,3,5-trimethylpyrazol-4-yl)sulfamoyl]furan-2-carboxylic acid (PubChem CID 43361758) has the molecular formula C11H13N3O5S and a molecular weight of 299.31 g/mol. Its IUPAC name is 5-[(1,3,5-trimethylpyrazol-4-yl)sulfamoyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[(1,3,5-trimethylpyrazol-4-yl)sulfamoyl]furan-2-carboxylic acid
PubChem CID43361758
Molecular FormulaC11H13N3O5S
Molecular Weight299.31 g/mol
Exact Mass299.06
IUPAC Name5-[(1,3,5-trimethylpyrazol-4-yl)sulfamoyl]furan-2-carboxylic acid
SMILESCc1nn(C)c(C)c1NS(=O)(=O)c1ccc(C(=O)O)o1
InChIInChI=1S/C11H13N3O5S/c1-6-10(7(2)14(3)12-6)13-20(17,18)9-5-4-8(19-9)11(15)16/h4-5,13H,1-3H3,(H,15,16)
InChIKeyKCWMNQUUXLWJFT-UHFFFAOYSA-N
XLogP1.13
TPSA114.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(1,3,5-trimethylpyrazol-4-yl)sulfamoyl]furan-2-carboxylic acid?
The IUPAC name of 5-[(1,3,5-trimethylpyrazol-4-yl)sulfamoyl]furan-2-carboxylic acid (CID 43361758) is 5-[(1,3,5-trimethylpyrazol-4-yl)sulfamoyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[(1,3,5-trimethylpyrazol-4-yl)sulfamoyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[(1,3,5-trimethylpyrazol-4-yl)sulfamoyl]furan-2-carboxylic acid is Cc1nn(C)c(C)c1NS(=O)(=O)c1ccc(C(=O)O)o1.
What is the InChIKey of 5-[(1,3,5-trimethylpyrazol-4-yl)sulfamoyl]furan-2-carboxylic acid?
The InChIKey is KCWMNQUUXLWJFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O5S/c1-6-10(7(2)14(3)12-6)13-20(17,18)9-5-4-8(19-9)11(15)16/h4-5,13H,1-3H3,(H,15,16).
What are the key properties of 5-[(1,3,5-trimethylpyrazol-4-yl)sulfamoyl]furan-2-carboxylic acid?
5-[(1,3,5-trimethylpyrazol-4-yl)sulfamoyl]furan-2-carboxylic acid has a molecular weight of 299.31 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1,3,5-trimethylpyrazol-4-yl)sulfamoyl]furan-2-carboxylic acid is sourced from PubChem (CID 43361758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).