methyl 4-[(2-ethoxyphenyl)sulfamoyl]-1H-pyrrole-2-carboxylate

C14H16N2O5S — CID 22552072

IUPACmethyl 4-[(2-ethoxyphenyl)sulfamoyl]-1H-pyrrole-2-carboxylate
SMILESCCOc1ccccc1NS(=O)(=O)c1c[nH]c(C(=O)OC)c1
InChIInChI=1S/C14H16N2O5S/c1-3-21-13-7-5-4-6-11(13)16-22(18,19)10-8-12(15-9-10)14(17)20-2/h4-9,15-16H,3H2,1-2H3
InChIKeyMYTFUAKOGPSKMO-UHFFFAOYSA-N
MW324.36 g/mol
LogP2.00
Rot. Bonds6

About methyl 4-[(2-ethoxyphenyl)sulfamoyl]-1H-pyrrole-2-carboxylate

methyl 4-[(2-ethoxyphenyl)sulfamoyl]-1H-pyrrole-2-carboxylate (PubChem CID 22552072) has the molecular formula C14H16N2O5S and a molecular weight of 324.36 g/mol. Its IUPAC name is methyl 4-[(2-ethoxyphenyl)sulfamoyl]-1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(2-ethoxyphenyl)sulfamoyl]-1H-pyrrole-2-carboxylate
PubChem CID22552072
Molecular FormulaC14H16N2O5S
Molecular Weight324.36 g/mol
Exact Mass324.08
IUPAC Namemethyl 4-[(2-ethoxyphenyl)sulfamoyl]-1H-pyrrole-2-carboxylate
SMILESCCOc1ccccc1NS(=O)(=O)c1c[nH]c(C(=O)OC)c1
InChIInChI=1S/C14H16N2O5S/c1-3-21-13-7-5-4-6-11(13)16-22(18,19)10-8-12(15-9-10)14(17)20-2/h4-9,15-16H,3H2,1-2H3
InChIKeyMYTFUAKOGPSKMO-UHFFFAOYSA-N
XLogP2.00
TPSA97.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 4-[(2-ethoxyphenyl)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-[(2-ethoxyphenyl)sulfamoyl]-1H-pyrrole-2-carboxylate?
The IUPAC name of methyl 4-[(2-ethoxyphenyl)sulfamoyl]-1H-pyrrole-2-carboxylate (CID 22552072) is methyl 4-[(2-ethoxyphenyl)sulfamoyl]-1H-pyrrole-2-carboxylate.
What is the SMILES notation for methyl 4-[(2-ethoxyphenyl)sulfamoyl]-1H-pyrrole-2-carboxylate?
The canonical SMILES for methyl 4-[(2-ethoxyphenyl)sulfamoyl]-1H-pyrrole-2-carboxylate is CCOc1ccccc1NS(=O)(=O)c1c[nH]c(C(=O)OC)c1.
What is the InChIKey of methyl 4-[(2-ethoxyphenyl)sulfamoyl]-1H-pyrrole-2-carboxylate?
The InChIKey is MYTFUAKOGPSKMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O5S/c1-3-21-13-7-5-4-6-11(13)16-22(18,19)10-8-12(15-9-10)14(17)20-2/h4-9,15-16H,3H2,1-2H3.
What are the key properties of methyl 4-[(2-ethoxyphenyl)sulfamoyl]-1H-pyrrole-2-carboxylate?
methyl 4-[(2-ethoxyphenyl)sulfamoyl]-1H-pyrrole-2-carboxylate has a molecular weight of 324.36 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2-ethoxyphenyl)sulfamoyl]-1H-pyrrole-2-carboxylate is sourced from PubChem (CID 22552072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).