ethyl 5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrrole-3-carboxylate

C19H17ClN2O4S — CID 162646622

IUPACethyl 5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrrole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(Cl)cc2)n(-c2ccc(S(N)(=O)=O)cc2)c1
InChIInChI=1S/C19H17ClN2O4S/c1-2-26-19(23)14-11-18(13-3-5-15(20)6-4-13)22(12-14)16-7-9-17(10-8-16)27(21,24)25/h3-12H,2H2,1H3,(H2,21,24,25)
InChIKeyKPOBGGUXMKIZIQ-UHFFFAOYSA-N
MW404.88 g/mol
LogP3.62
Rot. Bonds5

About ethyl 5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrrole-3-carboxylate

ethyl 5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrrole-3-carboxylate (PubChem CID 162646622) has the molecular formula C19H17ClN2O4S and a molecular weight of 404.88 g/mol. Its IUPAC name is ethyl 5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrrole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrrole-3-carboxylate
PubChem CID162646622
Molecular FormulaC19H17ClN2O4S
Molecular Weight404.88 g/mol
Exact Mass404.06
IUPAC Nameethyl 5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrrole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(Cl)cc2)n(-c2ccc(S(N)(=O)=O)cc2)c1
InChIInChI=1S/C19H17ClN2O4S/c1-2-26-19(23)14-11-18(13-3-5-15(20)6-4-13)22(12-14)16-7-9-17(10-8-16)27(21,24)25/h3-12H,2H2,1H3,(H2,21,24,25)
InChIKeyKPOBGGUXMKIZIQ-UHFFFAOYSA-N
XLogP3.62
TPSA91.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.88
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrrole-3-carboxylate?
The IUPAC name of ethyl 5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrrole-3-carboxylate (CID 162646622) is ethyl 5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrrole-3-carboxylate.
What is the SMILES notation for ethyl 5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrrole-3-carboxylate?
The canonical SMILES for ethyl 5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrrole-3-carboxylate is CCOC(=O)c1cc(-c2ccc(Cl)cc2)n(-c2ccc(S(N)(=O)=O)cc2)c1.
What is the InChIKey of ethyl 5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrrole-3-carboxylate?
The InChIKey is KPOBGGUXMKIZIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O4S/c1-2-26-19(23)14-11-18(13-3-5-15(20)6-4-13)22(12-14)16-7-9-17(10-8-16)27(21,24)25/h3-12H,2H2,1H3,(H2,21,24,25).
What are the key properties of ethyl 5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrrole-3-carboxylate?
ethyl 5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrrole-3-carboxylate has a molecular weight of 404.88 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrrole-3-carboxylate is sourced from PubChem (CID 162646622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).