3-(3-fluorophenyl)-1-sulfamoylpyrrole-2-carboxylic acid

C11H9FN2O4S — CID 148956638

IUPAC3-(3-fluorophenyl)-1-sulfamoylpyrrole-2-carboxylic acid
SMILESNS(=O)(=O)n1ccc(-c2cccc(F)c2)c1C(=O)O
InChIInChI=1S/C11H9FN2O4S/c12-8-3-1-2-7(6-8)9-4-5-14(19(13,17)18)10(9)11(15)16/h1-6H,(H,15,16)(H2,13,17,18)
InChIKeyPQZLCCFTZVWTQH-UHFFFAOYSA-N
MW284.27 g/mol
LogP1.04
Rot. Bonds3

About 3-(3-fluorophenyl)-1-sulfamoylpyrrole-2-carboxylic acid

3-(3-fluorophenyl)-1-sulfamoylpyrrole-2-carboxylic acid (PubChem CID 148956638) has the molecular formula C11H9FN2O4S and a molecular weight of 284.27 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-1-sulfamoylpyrrole-2-carboxylic acid.

Molecular Properties

Compound Name3-(3-fluorophenyl)-1-sulfamoylpyrrole-2-carboxylic acid
PubChem CID148956638
Molecular FormulaC11H9FN2O4S
Molecular Weight284.27 g/mol
Exact Mass284.03
IUPAC Name3-(3-fluorophenyl)-1-sulfamoylpyrrole-2-carboxylic acid
SMILESNS(=O)(=O)n1ccc(-c2cccc(F)c2)c1C(=O)O
InChIInChI=1S/C11H9FN2O4S/c12-8-3-1-2-7(6-8)9-4-5-14(19(13,17)18)10(9)11(15)16/h1-6H,(H,15,16)(H2,13,17,18)
InChIKeyPQZLCCFTZVWTQH-UHFFFAOYSA-N
XLogP1.04
TPSA102.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-1-sulfamoylpyrrole-2-carboxylic acid?
The IUPAC name of 3-(3-fluorophenyl)-1-sulfamoylpyrrole-2-carboxylic acid (CID 148956638) is 3-(3-fluorophenyl)-1-sulfamoylpyrrole-2-carboxylic acid.
What is the SMILES notation for 3-(3-fluorophenyl)-1-sulfamoylpyrrole-2-carboxylic acid?
The canonical SMILES for 3-(3-fluorophenyl)-1-sulfamoylpyrrole-2-carboxylic acid is NS(=O)(=O)n1ccc(-c2cccc(F)c2)c1C(=O)O.
What is the InChIKey of 3-(3-fluorophenyl)-1-sulfamoylpyrrole-2-carboxylic acid?
The InChIKey is PQZLCCFTZVWTQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O4S/c12-8-3-1-2-7(6-8)9-4-5-14(19(13,17)18)10(9)11(15)16/h1-6H,(H,15,16)(H2,13,17,18).
What are the key properties of 3-(3-fluorophenyl)-1-sulfamoylpyrrole-2-carboxylic acid?
3-(3-fluorophenyl)-1-sulfamoylpyrrole-2-carboxylic acid has a molecular weight of 284.27 g/mol, XLogP of 1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-1-sulfamoylpyrrole-2-carboxylic acid is sourced from PubChem (CID 148956638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).