3-pyrrol-1-yl-1-sulfamoylpyrrole-2-carboxylic acid

C9H9N3O4S — CID 146783052

IUPAC3-pyrrol-1-yl-1-sulfamoylpyrrole-2-carboxylic acid
SMILESNS(=O)(=O)n1ccc(-n2cccc2)c1C(=O)O
InChIInChI=1S/C9H9N3O4S/c10-17(15,16)12-6-3-7(8(12)9(13)14)11-4-1-2-5-11/h1-6H,(H,13,14)(H2,10,15,16)
InChIKeyRUAYDYHMHGDAOM-UHFFFAOYSA-N
MW255.25 g/mol
LogP0.03
Rot. Bonds3

About 3-pyrrol-1-yl-1-sulfamoylpyrrole-2-carboxylic acid

3-pyrrol-1-yl-1-sulfamoylpyrrole-2-carboxylic acid (PubChem CID 146783052) has the molecular formula C9H9N3O4S and a molecular weight of 255.25 g/mol. Its IUPAC name is 3-pyrrol-1-yl-1-sulfamoylpyrrole-2-carboxylic acid.

Molecular Properties

Compound Name3-pyrrol-1-yl-1-sulfamoylpyrrole-2-carboxylic acid
PubChem CID146783052
Molecular FormulaC9H9N3O4S
Molecular Weight255.25 g/mol
Exact Mass255.03
IUPAC Name3-pyrrol-1-yl-1-sulfamoylpyrrole-2-carboxylic acid
SMILESNS(=O)(=O)n1ccc(-n2cccc2)c1C(=O)O
InChIInChI=1S/C9H9N3O4S/c10-17(15,16)12-6-3-7(8(12)9(13)14)11-4-1-2-5-11/h1-6H,(H,13,14)(H2,10,15,16)
InChIKeyRUAYDYHMHGDAOM-UHFFFAOYSA-N
XLogP0.03
TPSA107.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.25
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-pyrrol-1-yl-1-sulfamoylpyrrole-2-carboxylic acid?
The IUPAC name of 3-pyrrol-1-yl-1-sulfamoylpyrrole-2-carboxylic acid (CID 146783052) is 3-pyrrol-1-yl-1-sulfamoylpyrrole-2-carboxylic acid.
What is the SMILES notation for 3-pyrrol-1-yl-1-sulfamoylpyrrole-2-carboxylic acid?
The canonical SMILES for 3-pyrrol-1-yl-1-sulfamoylpyrrole-2-carboxylic acid is NS(=O)(=O)n1ccc(-n2cccc2)c1C(=O)O.
What is the InChIKey of 3-pyrrol-1-yl-1-sulfamoylpyrrole-2-carboxylic acid?
The InChIKey is RUAYDYHMHGDAOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O4S/c10-17(15,16)12-6-3-7(8(12)9(13)14)11-4-1-2-5-11/h1-6H,(H,13,14)(H2,10,15,16).
What are the key properties of 3-pyrrol-1-yl-1-sulfamoylpyrrole-2-carboxylic acid?
3-pyrrol-1-yl-1-sulfamoylpyrrole-2-carboxylic acid has a molecular weight of 255.25 g/mol, XLogP of 0.03, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrrol-1-yl-1-sulfamoylpyrrole-2-carboxylic acid is sourced from PubChem (CID 146783052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).