3-pyrrolidin-3-yl-1-sulfamoylpyrrole-2-carboxylic acid;hydrochloride

C9H14ClN3O4S — CID 166591524

IUPAC3-pyrrolidin-3-yl-1-sulfamoylpyrrole-2-carboxylic acid;hydrochloride
SMILESCl.NS(=O)(=O)n1ccc(C2CCNC2)c1C(=O)O
InChIInChI=1S/C9H13N3O4S.ClH/c10-17(15,16)12-4-2-7(8(12)9(13)14)6-1-3-11-5-6;/h2,4,6,11H,1,3,5H2,(H,13,14)(H2,10,15,16);1H
InChIKeyZGIQAZYCRCLYKE-UHFFFAOYSA-N
MW295.75 g/mol
LogP-0.26
Rot. Bonds3

About 3-pyrrolidin-3-yl-1-sulfamoylpyrrole-2-carboxylic acid;hydrochloride

3-pyrrolidin-3-yl-1-sulfamoylpyrrole-2-carboxylic acid;hydrochloride (PubChem CID 166591524) has the molecular formula C9H14ClN3O4S and a molecular weight of 295.75 g/mol. Its IUPAC name is 3-pyrrolidin-3-yl-1-sulfamoylpyrrole-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name3-pyrrolidin-3-yl-1-sulfamoylpyrrole-2-carboxylic acid;hydrochloride
PubChem CID166591524
Molecular FormulaC9H14ClN3O4S
Molecular Weight295.75 g/mol
Exact Mass295.04
IUPAC Name3-pyrrolidin-3-yl-1-sulfamoylpyrrole-2-carboxylic acid;hydrochloride
SMILESCl.NS(=O)(=O)n1ccc(C2CCNC2)c1C(=O)O
InChIInChI=1S/C9H13N3O4S.ClH/c10-17(15,16)12-4-2-7(8(12)9(13)14)6-1-3-11-5-6;/h2,4,6,11H,1,3,5H2,(H,13,14)(H2,10,15,16);1H
InChIKeyZGIQAZYCRCLYKE-UHFFFAOYSA-N
XLogP-0.26
TPSA114.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.75
LogP ≤ 5-0.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-pyrrolidin-3-yl-1-sulfamoylpyrrole-2-carboxylic acid;hydrochloride?
The IUPAC name of 3-pyrrolidin-3-yl-1-sulfamoylpyrrole-2-carboxylic acid;hydrochloride (CID 166591524) is 3-pyrrolidin-3-yl-1-sulfamoylpyrrole-2-carboxylic acid;hydrochloride.
What is the SMILES notation for 3-pyrrolidin-3-yl-1-sulfamoylpyrrole-2-carboxylic acid;hydrochloride?
The canonical SMILES for 3-pyrrolidin-3-yl-1-sulfamoylpyrrole-2-carboxylic acid;hydrochloride is Cl.NS(=O)(=O)n1ccc(C2CCNC2)c1C(=O)O.
What is the InChIKey of 3-pyrrolidin-3-yl-1-sulfamoylpyrrole-2-carboxylic acid;hydrochloride?
The InChIKey is ZGIQAZYCRCLYKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O4S.ClH/c10-17(15,16)12-4-2-7(8(12)9(13)14)6-1-3-11-5-6;/h2,4,6,11H,1,3,5H2,(H,13,14)(H2,10,15,16);1H.
What are the key properties of 3-pyrrolidin-3-yl-1-sulfamoylpyrrole-2-carboxylic acid;hydrochloride?
3-pyrrolidin-3-yl-1-sulfamoylpyrrole-2-carboxylic acid;hydrochloride has a molecular weight of 295.75 g/mol, XLogP of -0.26, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrrolidin-3-yl-1-sulfamoylpyrrole-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 166591524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).