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

C10H11N3O5S — CID 63821150

IUPAC5-methyl-4-[(5-methyl-1H-pyrazol-3-yl)sulfamoyl]furan-2-carboxylic acid
SMILESCc1cc(NS(=O)(=O)c2cc(C(=O)O)oc2C)n[nH]1
InChIInChI=1S/C10H11N3O5S/c1-5-3-9(12-11-5)13-19(16,17)8-4-7(10(14)15)18-6(8)2/h3-4H,1-2H3,(H,14,15)(H2,11,12,13)
InChIKeyLAJPSLCZVNZDDK-UHFFFAOYSA-N
MW285.28 g/mol
LogP1.12
Rot. Bonds4

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

5-methyl-4-[(5-methyl-1H-pyrazol-3-yl)sulfamoyl]furan-2-carboxylic acid (PubChem CID 63821150) has the molecular formula C10H11N3O5S and a molecular weight of 285.28 g/mol. Its IUPAC name is 5-methyl-4-[(5-methyl-1H-pyrazol-3-yl)sulfamoyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-methyl-4-[(5-methyl-1H-pyrazol-3-yl)sulfamoyl]furan-2-carboxylic acid
PubChem CID63821150
Molecular FormulaC10H11N3O5S
Molecular Weight285.28 g/mol
Exact Mass285.04
IUPAC Name5-methyl-4-[(5-methyl-1H-pyrazol-3-yl)sulfamoyl]furan-2-carboxylic acid
SMILESCc1cc(NS(=O)(=O)c2cc(C(=O)O)oc2C)n[nH]1
InChIInChI=1S/C10H11N3O5S/c1-5-3-9(12-11-5)13-19(16,17)8-4-7(10(14)15)18-6(8)2/h3-4H,1-2H3,(H,14,15)(H2,11,12,13)
InChIKeyLAJPSLCZVNZDDK-UHFFFAOYSA-N
XLogP1.12
TPSA125.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.28
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[(5-methyl-1H-pyrazol-3-yl)sulfamoyl]furan-2-carboxylic acid?
The IUPAC name of 5-methyl-4-[(5-methyl-1H-pyrazol-3-yl)sulfamoyl]furan-2-carboxylic acid (CID 63821150) is 5-methyl-4-[(5-methyl-1H-pyrazol-3-yl)sulfamoyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-methyl-4-[(5-methyl-1H-pyrazol-3-yl)sulfamoyl]furan-2-carboxylic acid?
The canonical SMILES for 5-methyl-4-[(5-methyl-1H-pyrazol-3-yl)sulfamoyl]furan-2-carboxylic acid is Cc1cc(NS(=O)(=O)c2cc(C(=O)O)oc2C)n[nH]1.
What is the InChIKey of 5-methyl-4-[(5-methyl-1H-pyrazol-3-yl)sulfamoyl]furan-2-carboxylic acid?
The InChIKey is LAJPSLCZVNZDDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O5S/c1-5-3-9(12-11-5)13-19(16,17)8-4-7(10(14)15)18-6(8)2/h3-4H,1-2H3,(H,14,15)(H2,11,12,13).
What are the key properties of 5-methyl-4-[(5-methyl-1H-pyrazol-3-yl)sulfamoyl]furan-2-carboxylic acid?
5-methyl-4-[(5-methyl-1H-pyrazol-3-yl)sulfamoyl]furan-2-carboxylic acid has a molecular weight of 285.28 g/mol, XLogP of 1.12, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[(5-methyl-1H-pyrazol-3-yl)sulfamoyl]furan-2-carboxylic acid is sourced from PubChem (CID 63821150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).