ethyl 2-amino-4-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrrole-3-carboxylate

C19H18ClN3O4S — CID 162659272

IUPACethyl 2-amino-4-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrrole-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(Cl)cc2)cn(-c2ccc(S(N)(=O)=O)cc2)c1N
InChIInChI=1S/C19H18ClN3O4S/c1-2-27-19(24)17-16(12-3-5-13(20)6-4-12)11-23(18(17)21)14-7-9-15(10-8-14)28(22,25)26/h3-11H,2,21H2,1H3,(H2,22,25,26)
InChIKeyIYCYGSLYRLCMMV-UHFFFAOYSA-N
MW419.89 g/mol
LogP3.20
Rot. Bonds5

About ethyl 2-amino-4-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrrole-3-carboxylate

ethyl 2-amino-4-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrrole-3-carboxylate (PubChem CID 162659272) has the molecular formula C19H18ClN3O4S and a molecular weight of 419.89 g/mol. Its IUPAC name is ethyl 2-amino-4-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrrole-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-4-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrrole-3-carboxylate
PubChem CID162659272
Molecular FormulaC19H18ClN3O4S
Molecular Weight419.89 g/mol
Exact Mass419.07
IUPAC Nameethyl 2-amino-4-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrrole-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(Cl)cc2)cn(-c2ccc(S(N)(=O)=O)cc2)c1N
InChIInChI=1S/C19H18ClN3O4S/c1-2-27-19(24)17-16(12-3-5-13(20)6-4-12)11-23(18(17)21)14-7-9-15(10-8-14)28(22,25)26/h3-11H,2,21H2,1H3,(H2,22,25,26)
InChIKeyIYCYGSLYRLCMMV-UHFFFAOYSA-N
XLogP3.20
TPSA117.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.89
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-4-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrrole-3-carboxylate?
The IUPAC name of ethyl 2-amino-4-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrrole-3-carboxylate (CID 162659272) is ethyl 2-amino-4-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrrole-3-carboxylate.
What is the SMILES notation for ethyl 2-amino-4-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrrole-3-carboxylate?
The canonical SMILES for ethyl 2-amino-4-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrrole-3-carboxylate is CCOC(=O)c1c(-c2ccc(Cl)cc2)cn(-c2ccc(S(N)(=O)=O)cc2)c1N.
What is the InChIKey of ethyl 2-amino-4-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrrole-3-carboxylate?
The InChIKey is IYCYGSLYRLCMMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O4S/c1-2-27-19(24)17-16(12-3-5-13(20)6-4-12)11-23(18(17)21)14-7-9-15(10-8-14)28(22,25)26/h3-11H,2,21H2,1H3,(H2,22,25,26).
What are the key properties of ethyl 2-amino-4-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrrole-3-carboxylate?
ethyl 2-amino-4-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrrole-3-carboxylate has a molecular weight of 419.89 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-4-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrrole-3-carboxylate is sourced from PubChem (CID 162659272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).