1-methyl-5-sulfamoylpyrrole-2-carboxylic acid

C6H8N2O4S — CID 2743018

IUPAC1-methyl-5-sulfamoylpyrrole-2-carboxylic acid
SMILESCn1c(C(=O)O)ccc1S(N)(=O)=O
InChIInChI=1S/C6H8N2O4S/c1-8-4(6(9)10)2-3-5(8)13(7,11)12/h2-3H,1H3,(H,9,10)(H2,7,11,12)
InChIKeyHIUOQXPHVZAOBG-UHFFFAOYSA-N
MW204.21 g/mol
LogP-0.63
Rot. Bonds2

About 1-methyl-5-sulfamoylpyrrole-2-carboxylic acid

1-methyl-5-sulfamoylpyrrole-2-carboxylic acid (PubChem CID 2743018) has the molecular formula C6H8N2O4S and a molecular weight of 204.21 g/mol. Its IUPAC name is 1-methyl-5-sulfamoylpyrrole-2-carboxylic acid.

Molecular Properties

Compound Name1-methyl-5-sulfamoylpyrrole-2-carboxylic acid
PubChem CID2743018
Molecular FormulaC6H8N2O4S
Molecular Weight204.21 g/mol
Exact Mass204.02
IUPAC Name1-methyl-5-sulfamoylpyrrole-2-carboxylic acid
SMILESCn1c(C(=O)O)ccc1S(N)(=O)=O
InChIInChI=1S/C6H8N2O4S/c1-8-4(6(9)10)2-3-5(8)13(7,11)12/h2-3H,1H3,(H,9,10)(H2,7,11,12)
InChIKeyHIUOQXPHVZAOBG-UHFFFAOYSA-N
XLogP-0.63
TPSA102.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.21
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-methyl-5-sulfamoylpyrrole-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-sulfamoylpyrrole-2-carboxylic acid?
The IUPAC name of 1-methyl-5-sulfamoylpyrrole-2-carboxylic acid (CID 2743018) is 1-methyl-5-sulfamoylpyrrole-2-carboxylic acid.
What is the SMILES notation for 1-methyl-5-sulfamoylpyrrole-2-carboxylic acid?
The canonical SMILES for 1-methyl-5-sulfamoylpyrrole-2-carboxylic acid is Cn1c(C(=O)O)ccc1S(N)(=O)=O.
What is the InChIKey of 1-methyl-5-sulfamoylpyrrole-2-carboxylic acid?
The InChIKey is HIUOQXPHVZAOBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O4S/c1-8-4(6(9)10)2-3-5(8)13(7,11)12/h2-3H,1H3,(H,9,10)(H2,7,11,12).
What are the key properties of 1-methyl-5-sulfamoylpyrrole-2-carboxylic acid?
1-methyl-5-sulfamoylpyrrole-2-carboxylic acid has a molecular weight of 204.21 g/mol, XLogP of -0.63, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-sulfamoylpyrrole-2-carboxylic acid is sourced from PubChem (CID 2743018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).