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

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Related Compounds

[2-(4-Methoxy-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 1-methylpyrrole-2-carboxylate
CID 4253900
methyl 4-piperidin-1-ylsulfonyl-1H-pyrrole-2-carboxylate
CID 6625945
Methyl 4-{[(furan-2-YL)methyl](methyl)sulfamoyl}-1H-pyrrole-2-carboxylate
CID 22552125
[2-(2-Methoxy-4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] pyridine-2-carboxylate
CID 2352062
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 3-[(4-methoxy-3-nitrophenyl)sulfonylamino]propanoate
CID 4850717
N-(4-Ethoxyphenyl)-4-(piperidine-1-sulfonyl)-1H-pyrrole-2-carboxamide
CID 16018604
N-Ethyl-N-(4-methoxyphenyl)-4-(piperidine-1-sulfonyl)-1H-pyrrole-2-carboxamide
CID 16018698
N-(2-methoxyphenyl)-1-methyl-4-(pyrrolidine-1-sulfonyl)-1H-pyrrole-2-carboxamide
CID 17398405
methyl 4-{[benzyl(tert-butyl)amino]sulfonyl}-1H-pyrrole-2-carboxylate
CID 20938572
methyl 4-{[(2-fluorophenyl)(propyl)amino]sulfonyl}-1H-pyrrole-2-carboxylate
CID 20938589
Methyl 4-[(3-methoxyphenyl)sulfamoyl]-1-methyl-1H-pyrrole-2-carboxylate
CID 22515623
Methyl 4-[(3,5-dimethoxyphenyl)sulfamoyl]-1-methyl-1H-pyrrole-2-carboxylate
CID 22515637

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).