4-[(5-fluoro-2-methylphenyl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid

C13H13FN2O4S — CID 16780389

IUPAC4-[(5-fluoro-2-methylphenyl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid
SMILESCc1ccc(F)cc1NS(=O)(=O)c1cc(C(=O)O)n(C)c1
InChIInChI=1S/C13H13FN2O4S/c1-8-3-4-9(14)5-11(8)15-21(19,20)10-6-12(13(17)18)16(2)7-10/h3-7,15H,1-2H3,(H,17,18)
InChIKeyYMOPYIPNMULDML-UHFFFAOYSA-N
MW312.32 g/mol
LogP1.97
Rot. Bonds4

About 4-[(5-fluoro-2-methylphenyl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid

4-[(5-fluoro-2-methylphenyl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid (PubChem CID 16780389) has the molecular formula C13H13FN2O4S and a molecular weight of 312.32 g/mol. Its IUPAC name is 4-[(5-fluoro-2-methylphenyl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-[(5-fluoro-2-methylphenyl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid
PubChem CID16780389
Molecular FormulaC13H13FN2O4S
Molecular Weight312.32 g/mol
Exact Mass312.06
IUPAC Name4-[(5-fluoro-2-methylphenyl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid
SMILESCc1ccc(F)cc1NS(=O)(=O)c1cc(C(=O)O)n(C)c1
InChIInChI=1S/C13H13FN2O4S/c1-8-3-4-9(14)5-11(8)15-21(19,20)10-6-12(13(17)18)16(2)7-10/h3-7,15H,1-2H3,(H,17,18)
InChIKeyYMOPYIPNMULDML-UHFFFAOYSA-N
XLogP1.97
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[(5-fluoro-2-methylphenyl)sulfamoyl]-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 4-[(5-fluoro-2-methylphenyl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid?
The IUPAC name of 4-[(5-fluoro-2-methylphenyl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid (CID 16780389) is 4-[(5-fluoro-2-methylphenyl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid.
What is the SMILES notation for 4-[(5-fluoro-2-methylphenyl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid?
The canonical SMILES for 4-[(5-fluoro-2-methylphenyl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid is Cc1ccc(F)cc1NS(=O)(=O)c1cc(C(=O)O)n(C)c1.
What is the InChIKey of 4-[(5-fluoro-2-methylphenyl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid?
The InChIKey is YMOPYIPNMULDML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O4S/c1-8-3-4-9(14)5-11(8)15-21(19,20)10-6-12(13(17)18)16(2)7-10/h3-7,15H,1-2H3,(H,17,18).
What are the key properties of 4-[(5-fluoro-2-methylphenyl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid?
4-[(5-fluoro-2-methylphenyl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid has a molecular weight of 312.32 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-fluoro-2-methylphenyl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid is sourced from PubChem (CID 16780389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).