4-sulfamoyl-1H-pyrrole-2-carboxylic acid

C5H6N2O4S — CID 28740523

IUPAC4-sulfamoyl-1H-pyrrole-2-carboxylic acid
SMILESNS(=O)(=O)c1c[nH]c(C(=O)O)c1
InChIInChI=1S/C5H6N2O4S/c6-12(10,11)3-1-4(5(8)9)7-2-3/h1-2,7H,(H,8,9)(H2,6,10,11)
InChIKeyDSRIAQJIFHUAEB-UHFFFAOYSA-N
MW190.18 g/mol
LogP-0.64
Rot. Bonds2

About 4-sulfamoyl-1H-pyrrole-2-carboxylic acid

4-sulfamoyl-1H-pyrrole-2-carboxylic acid (PubChem CID 28740523) has the molecular formula C5H6N2O4S and a molecular weight of 190.18 g/mol. Its IUPAC name is 4-sulfamoyl-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-sulfamoyl-1H-pyrrole-2-carboxylic acid
PubChem CID28740523
Molecular FormulaC5H6N2O4S
Molecular Weight190.18 g/mol
Exact Mass190.00
IUPAC Name4-sulfamoyl-1H-pyrrole-2-carboxylic acid
SMILESNS(=O)(=O)c1c[nH]c(C(=O)O)c1
InChIInChI=1S/C5H6N2O4S/c6-12(10,11)3-1-4(5(8)9)7-2-3/h1-2,7H,(H,8,9)(H2,6,10,11)
InChIKeyDSRIAQJIFHUAEB-UHFFFAOYSA-N
XLogP-0.64
TPSA113.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.18
LogP ≤ 5-0.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-sulfamoyl-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 4-sulfamoyl-1H-pyrrole-2-carboxylic acid (CID 28740523) is 4-sulfamoyl-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 4-sulfamoyl-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 4-sulfamoyl-1H-pyrrole-2-carboxylic acid is NS(=O)(=O)c1c[nH]c(C(=O)O)c1.
What is the InChIKey of 4-sulfamoyl-1H-pyrrole-2-carboxylic acid?
The InChIKey is DSRIAQJIFHUAEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O4S/c6-12(10,11)3-1-4(5(8)9)7-2-3/h1-2,7H,(H,8,9)(H2,6,10,11).
What are the key properties of 4-sulfamoyl-1H-pyrrole-2-carboxylic acid?
4-sulfamoyl-1H-pyrrole-2-carboxylic acid has a molecular weight of 190.18 g/mol, XLogP of -0.64, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-sulfamoyl-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 28740523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).