5-(furan-2-ylmethylsulfamoyl)-1-methylpyrrole-2-carboxylic acid

C11H12N2O5S — CID 2810321

IUPAC5-(furan-2-ylmethylsulfamoyl)-1-methylpyrrole-2-carboxylic acid
SMILESCn1c(C(=O)O)ccc1S(=O)(=O)NCc1ccco1
InChIInChI=1S/C11H12N2O5S/c1-13-9(11(14)15)4-5-10(13)19(16,17)12-7-8-3-2-6-18-8/h2-6,12H,7H2,1H3,(H,14,15)
InChIKeyOYHBCBNATFXWJO-UHFFFAOYSA-N
MW284.29 g/mol
LogP0.79
Rot. Bonds5

About 5-(furan-2-ylmethylsulfamoyl)-1-methylpyrrole-2-carboxylic acid

5-(furan-2-ylmethylsulfamoyl)-1-methylpyrrole-2-carboxylic acid (PubChem CID 2810321) has the molecular formula C11H12N2O5S and a molecular weight of 284.29 g/mol. Its IUPAC name is 5-(furan-2-ylmethylsulfamoyl)-1-methylpyrrole-2-carboxylic acid.

Molecular Properties

Compound Name5-(furan-2-ylmethylsulfamoyl)-1-methylpyrrole-2-carboxylic acid
PubChem CID2810321
Molecular FormulaC11H12N2O5S
Molecular Weight284.29 g/mol
Exact Mass284.05
IUPAC Name5-(furan-2-ylmethylsulfamoyl)-1-methylpyrrole-2-carboxylic acid
SMILESCn1c(C(=O)O)ccc1S(=O)(=O)NCc1ccco1
InChIInChI=1S/C11H12N2O5S/c1-13-9(11(14)15)4-5-10(13)19(16,17)12-7-8-3-2-6-18-8/h2-6,12H,7H2,1H3,(H,14,15)
InChIKeyOYHBCBNATFXWJO-UHFFFAOYSA-N
XLogP0.79
TPSA101.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-(furan-2-ylmethylsulfamoyl)-1-methylpyrrole-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 5-(furan-2-ylmethylsulfamoyl)-1-methylpyrrole-2-carboxylic acid?
The IUPAC name of 5-(furan-2-ylmethylsulfamoyl)-1-methylpyrrole-2-carboxylic acid (CID 2810321) is 5-(furan-2-ylmethylsulfamoyl)-1-methylpyrrole-2-carboxylic acid.
What is the SMILES notation for 5-(furan-2-ylmethylsulfamoyl)-1-methylpyrrole-2-carboxylic acid?
The canonical SMILES for 5-(furan-2-ylmethylsulfamoyl)-1-methylpyrrole-2-carboxylic acid is Cn1c(C(=O)O)ccc1S(=O)(=O)NCc1ccco1.
What is the InChIKey of 5-(furan-2-ylmethylsulfamoyl)-1-methylpyrrole-2-carboxylic acid?
The InChIKey is OYHBCBNATFXWJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O5S/c1-13-9(11(14)15)4-5-10(13)19(16,17)12-7-8-3-2-6-18-8/h2-6,12H,7H2,1H3,(H,14,15).
What are the key properties of 5-(furan-2-ylmethylsulfamoyl)-1-methylpyrrole-2-carboxylic acid?
5-(furan-2-ylmethylsulfamoyl)-1-methylpyrrole-2-carboxylic acid has a molecular weight of 284.29 g/mol, XLogP of 0.79, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-ylmethylsulfamoyl)-1-methylpyrrole-2-carboxylic acid is sourced from PubChem (CID 2810321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).