4-[(1-methylpyrazol-3-yl)sulfamoyl]-1H-pyrrole-2-carboxylic acid

C9H10N4O4S — CID 16780193

IUPAC4-[(1-methylpyrazol-3-yl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
SMILESCn1ccc(NS(=O)(=O)c2c[nH]c(C(=O)O)c2)n1
InChIInChI=1S/C9H10N4O4S/c1-13-3-2-8(11-13)12-18(16,17)6-4-7(9(14)15)10-5-6/h2-5,10H,1H3,(H,11,12)(H,14,15)
InChIKeyGLEDCRFVNHWZHH-UHFFFAOYSA-N
MW270.27 g/mol
LogP0.25
Rot. Bonds4

About 4-[(1-methylpyrazol-3-yl)sulfamoyl]-1H-pyrrole-2-carboxylic acid

4-[(1-methylpyrazol-3-yl)sulfamoyl]-1H-pyrrole-2-carboxylic acid (PubChem CID 16780193) has the molecular formula C9H10N4O4S and a molecular weight of 270.27 g/mol. Its IUPAC name is 4-[(1-methylpyrazol-3-yl)sulfamoyl]-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-[(1-methylpyrazol-3-yl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
PubChem CID16780193
Molecular FormulaC9H10N4O4S
Molecular Weight270.27 g/mol
Exact Mass270.04
IUPAC Name4-[(1-methylpyrazol-3-yl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
SMILESCn1ccc(NS(=O)(=O)c2c[nH]c(C(=O)O)c2)n1
InChIInChI=1S/C9H10N4O4S/c1-13-3-2-8(11-13)12-18(16,17)6-4-7(9(14)15)10-5-6/h2-5,10H,1H3,(H,11,12)(H,14,15)
InChIKeyGLEDCRFVNHWZHH-UHFFFAOYSA-N
XLogP0.25
TPSA117.08 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.27
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-methylpyrazol-3-yl)sulfamoyl]-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 4-[(1-methylpyrazol-3-yl)sulfamoyl]-1H-pyrrole-2-carboxylic acid (CID 16780193) is 4-[(1-methylpyrazol-3-yl)sulfamoyl]-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 4-[(1-methylpyrazol-3-yl)sulfamoyl]-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 4-[(1-methylpyrazol-3-yl)sulfamoyl]-1H-pyrrole-2-carboxylic acid is Cn1ccc(NS(=O)(=O)c2c[nH]c(C(=O)O)c2)n1.
What is the InChIKey of 4-[(1-methylpyrazol-3-yl)sulfamoyl]-1H-pyrrole-2-carboxylic acid?
The InChIKey is GLEDCRFVNHWZHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O4S/c1-13-3-2-8(11-13)12-18(16,17)6-4-7(9(14)15)10-5-6/h2-5,10H,1H3,(H,11,12)(H,14,15).
What are the key properties of 4-[(1-methylpyrazol-3-yl)sulfamoyl]-1H-pyrrole-2-carboxylic acid?
4-[(1-methylpyrazol-3-yl)sulfamoyl]-1H-pyrrole-2-carboxylic acid has a molecular weight of 270.27 g/mol, XLogP of 0.25, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methylpyrazol-3-yl)sulfamoyl]-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 16780193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).