2,5-dimethyl-4-[(5-methyl-1H-pyrazol-3-yl)sulfamoyl]furan-3-carboxylic acid

C11H13N3O5S — CID 63823156

IUPAC2,5-dimethyl-4-[(5-methyl-1H-pyrazol-3-yl)sulfamoyl]furan-3-carboxylic acid
SMILESCc1cc(NS(=O)(=O)c2c(C)oc(C)c2C(=O)O)n[nH]1
InChIInChI=1S/C11H13N3O5S/c1-5-4-8(13-12-5)14-20(17,18)10-7(3)19-6(2)9(10)11(15)16/h4H,1-3H3,(H,15,16)(H2,12,13,14)
InChIKeySJCWKHSKHJVFNN-UHFFFAOYSA-N
MW299.31 g/mol
LogP1.43
Rot. Bonds4

About 2,5-dimethyl-4-[(5-methyl-1H-pyrazol-3-yl)sulfamoyl]furan-3-carboxylic acid

2,5-dimethyl-4-[(5-methyl-1H-pyrazol-3-yl)sulfamoyl]furan-3-carboxylic acid (PubChem CID 63823156) has the molecular formula C11H13N3O5S and a molecular weight of 299.31 g/mol. Its IUPAC name is 2,5-dimethyl-4-[(5-methyl-1H-pyrazol-3-yl)sulfamoyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name2,5-dimethyl-4-[(5-methyl-1H-pyrazol-3-yl)sulfamoyl]furan-3-carboxylic acid
PubChem CID63823156
Molecular FormulaC11H13N3O5S
Molecular Weight299.31 g/mol
Exact Mass299.06
IUPAC Name2,5-dimethyl-4-[(5-methyl-1H-pyrazol-3-yl)sulfamoyl]furan-3-carboxylic acid
SMILESCc1cc(NS(=O)(=O)c2c(C)oc(C)c2C(=O)O)n[nH]1
InChIInChI=1S/C11H13N3O5S/c1-5-4-8(13-12-5)14-20(17,18)10-7(3)19-6(2)9(10)11(15)16/h4H,1-3H3,(H,15,16)(H2,12,13,14)
InChIKeySJCWKHSKHJVFNN-UHFFFAOYSA-N
XLogP1.43
TPSA125.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-[(5-methyl-1H-pyrazol-3-yl)sulfamoyl]furan-3-carboxylic acid?
The IUPAC name of 2,5-dimethyl-4-[(5-methyl-1H-pyrazol-3-yl)sulfamoyl]furan-3-carboxylic acid (CID 63823156) is 2,5-dimethyl-4-[(5-methyl-1H-pyrazol-3-yl)sulfamoyl]furan-3-carboxylic acid.
What is the SMILES notation for 2,5-dimethyl-4-[(5-methyl-1H-pyrazol-3-yl)sulfamoyl]furan-3-carboxylic acid?
The canonical SMILES for 2,5-dimethyl-4-[(5-methyl-1H-pyrazol-3-yl)sulfamoyl]furan-3-carboxylic acid is Cc1cc(NS(=O)(=O)c2c(C)oc(C)c2C(=O)O)n[nH]1.
What is the InChIKey of 2,5-dimethyl-4-[(5-methyl-1H-pyrazol-3-yl)sulfamoyl]furan-3-carboxylic acid?
The InChIKey is SJCWKHSKHJVFNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O5S/c1-5-4-8(13-12-5)14-20(17,18)10-7(3)19-6(2)9(10)11(15)16/h4H,1-3H3,(H,15,16)(H2,12,13,14).
What are the key properties of 2,5-dimethyl-4-[(5-methyl-1H-pyrazol-3-yl)sulfamoyl]furan-3-carboxylic acid?
2,5-dimethyl-4-[(5-methyl-1H-pyrazol-3-yl)sulfamoyl]furan-3-carboxylic acid has a molecular weight of 299.31 g/mol, XLogP of 1.43, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-[(5-methyl-1H-pyrazol-3-yl)sulfamoyl]furan-3-carboxylic acid is sourced from PubChem (CID 63823156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).