methyl 4-sulfamoyl-1H-pyrrole-2-carboxylate

C6H8N2O4S — CID 65382426

IUPACmethyl 4-sulfamoyl-1H-pyrrole-2-carboxylate
SMILESCOC(=O)c1cc(S(N)(=O)=O)c[nH]1
InChIInChI=1S/C6H8N2O4S/c1-12-6(9)5-2-4(3-8-5)13(7,10)11/h2-3,8H,1H3,(H2,7,10,11)
InChIKeyQRUUSDOCTACVLM-UHFFFAOYSA-N
MW204.21 g/mol
LogP-0.55
Rot. Bonds2

About methyl 4-sulfamoyl-1H-pyrrole-2-carboxylate

methyl 4-sulfamoyl-1H-pyrrole-2-carboxylate (PubChem CID 65382426) has the molecular formula C6H8N2O4S and a molecular weight of 204.21 g/mol. Its IUPAC name is methyl 4-sulfamoyl-1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-sulfamoyl-1H-pyrrole-2-carboxylate
PubChem CID65382426
Molecular FormulaC6H8N2O4S
Molecular Weight204.21 g/mol
Exact Mass204.02
IUPAC Namemethyl 4-sulfamoyl-1H-pyrrole-2-carboxylate
SMILESCOC(=O)c1cc(S(N)(=O)=O)c[nH]1
InChIInChI=1S/C6H8N2O4S/c1-12-6(9)5-2-4(3-8-5)13(7,10)11/h2-3,8H,1H3,(H2,7,10,11)
InChIKeyQRUUSDOCTACVLM-UHFFFAOYSA-N
XLogP-0.55
TPSA102.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.21
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 4-sulfamoyl-1H-pyrrole-2-carboxylate 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 methyl 4-sulfamoyl-1H-pyrrole-2-carboxylate?
The IUPAC name of methyl 4-sulfamoyl-1H-pyrrole-2-carboxylate (CID 65382426) is methyl 4-sulfamoyl-1H-pyrrole-2-carboxylate.
What is the SMILES notation for methyl 4-sulfamoyl-1H-pyrrole-2-carboxylate?
The canonical SMILES for methyl 4-sulfamoyl-1H-pyrrole-2-carboxylate is COC(=O)c1cc(S(N)(=O)=O)c[nH]1.
What is the InChIKey of methyl 4-sulfamoyl-1H-pyrrole-2-carboxylate?
The InChIKey is QRUUSDOCTACVLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O4S/c1-12-6(9)5-2-4(3-8-5)13(7,10)11/h2-3,8H,1H3,(H2,7,10,11).
What are the key properties of methyl 4-sulfamoyl-1H-pyrrole-2-carboxylate?
methyl 4-sulfamoyl-1H-pyrrole-2-carboxylate has a molecular weight of 204.21 g/mol, XLogP of -0.55, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-sulfamoyl-1H-pyrrole-2-carboxylate is sourced from PubChem (CID 65382426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).