ethyl 2-amino-5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrrole-3-carboxylate

C19H18ClN3O4S — CID 162649760

IUPACethyl 2-amino-5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrrole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(Cl)cc2)n(-c2ccc(S(N)(=O)=O)cc2)c1N
InChIInChI=1S/C19H18ClN3O4S/c1-2-27-19(24)16-11-17(12-3-5-13(20)6-4-12)23(18(16)21)14-7-9-15(10-8-14)28(22,25)26/h3-11H,2,21H2,1H3,(H2,22,25,26)
InChIKeyQMHIPVYTLVRDAB-UHFFFAOYSA-N
MW419.89 g/mol
LogP3.20
Rot. Bonds5

About ethyl 2-amino-5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrrole-3-carboxylate

ethyl 2-amino-5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrrole-3-carboxylate (PubChem CID 162649760) has the molecular formula C19H18ClN3O4S and a molecular weight of 419.89 g/mol. Its IUPAC name is ethyl 2-amino-5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrrole-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrrole-3-carboxylate
PubChem CID162649760
Molecular FormulaC19H18ClN3O4S
Molecular Weight419.89 g/mol
Exact Mass419.07
IUPAC Nameethyl 2-amino-5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrrole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(Cl)cc2)n(-c2ccc(S(N)(=O)=O)cc2)c1N
InChIInChI=1S/C19H18ClN3O4S/c1-2-27-19(24)16-11-17(12-3-5-13(20)6-4-12)23(18(16)21)14-7-9-15(10-8-14)28(22,25)26/h3-11H,2,21H2,1H3,(H2,22,25,26)
InChIKeyQMHIPVYTLVRDAB-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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Related Compounds

Ethyl 5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrrole-3-carboxylate
CID 162646622
2-Amino-4-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrrole-3-carboxylic acid
CID 162654790
Ethyl 2-amino-4-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrrole-3-carboxylate
CID 162659272
Ethyl 5-(4-fluorophenyl)-2-methyl-1-(4-sulfamoylphenyl)pyrrole-3-carboxylate
CID 162663150
Ethyl 5-(4-Chlorophenyl)-2-methyl-1-(4-sulfamoylphenyl)-1H-pyrrole-3-carboxylate
CID 24894221
Ethyl 4-[(4-chlorophenyl)sulfamoyl]-2-methyl-1,5-diphenylpyrrole-3-carboxylate
CID 2742836
ethyl 2-amino-4,5-bis(4-chlorophenyl)-1H-pyrrole-3-carboxylate
CID 71658480
Ethyl 2-methyl-5-(4-methylphenyl)-1-(4-sulfamoylphenyl)pyrrole-3-carboxylate
CID 162642898
Ethyl 5-(2-chlorophenyl)-2-methyl-1-(4-sulfamoylphenyl)pyrrole-3-carboxylate
CID 162649029
Ethyl 2-amino-5-(4-fluorophenyl)-1-(4-sulfamoylphenyl)pyrrole-3-carboxylate
CID 162669920
Ethyl 5-(3-chlorophenyl)-2-methyl-1-(4-sulfamoylphenyl)pyrrole-3-carboxylate
CID 162674931
5-(4-Chlorophenyl)-2-methyl-1-(4-sulfamoylphenyl)-1H-3-carboxylic Acid
CID 24894220

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrrole-3-carboxylate?
The IUPAC name of ethyl 2-amino-5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrrole-3-carboxylate (CID 162649760) is ethyl 2-amino-5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrrole-3-carboxylate.
What is the SMILES notation for ethyl 2-amino-5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrrole-3-carboxylate?
The canonical SMILES for ethyl 2-amino-5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrrole-3-carboxylate is CCOC(=O)c1cc(-c2ccc(Cl)cc2)n(-c2ccc(S(N)(=O)=O)cc2)c1N.
What is the InChIKey of ethyl 2-amino-5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrrole-3-carboxylate?
The InChIKey is QMHIPVYTLVRDAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O4S/c1-2-27-19(24)16-11-17(12-3-5-13(20)6-4-12)23(18(16)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-5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrrole-3-carboxylate?
ethyl 2-amino-5-(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-5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrrole-3-carboxylate is sourced from PubChem (CID 162649760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).