2-amino-4-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrrole-3-carboxylic acid

C17H14ClN3O4S — CID 162654790

IUPAC2-amino-4-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrrole-3-carboxylic acid
SMILESNc1c(C(=O)O)c(-c2ccc(Cl)cc2)cn1-c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C17H14ClN3O4S/c18-11-3-1-10(2-4-11)14-9-21(16(19)15(14)17(22)23)12-5-7-13(8-6-12)26(20,24)25/h1-9H,19H2,(H,22,23)(H2,20,24,25)
InChIKeyBEJIOUQDWXUSQY-UHFFFAOYSA-N
MW391.84 g/mol
LogP2.73
Rot. Bonds4

About 2-amino-4-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrrole-3-carboxylic acid

2-amino-4-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrrole-3-carboxylic acid (PubChem CID 162654790) has the molecular formula C17H14ClN3O4S and a molecular weight of 391.84 g/mol. Its IUPAC name is 2-amino-4-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrrole-3-carboxylic acid.

Molecular Properties

Compound Name2-amino-4-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrrole-3-carboxylic acid
PubChem CID162654790
Molecular FormulaC17H14ClN3O4S
Molecular Weight391.84 g/mol
Exact Mass391.04
IUPAC Name2-amino-4-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrrole-3-carboxylic acid
SMILESNc1c(C(=O)O)c(-c2ccc(Cl)cc2)cn1-c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C17H14ClN3O4S/c18-11-3-1-10(2-4-11)14-9-21(16(19)15(14)17(22)23)12-5-7-13(8-6-12)26(20,24)25/h1-9H,19H2,(H,22,23)(H2,20,24,25)
InChIKeyBEJIOUQDWXUSQY-UHFFFAOYSA-N
XLogP2.73
TPSA128.41 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.84
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-amino-4-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrrole-3-carboxylic acid 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 2-amino-4-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrrole-3-carboxylic acid?
The IUPAC name of 2-amino-4-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrrole-3-carboxylic acid (CID 162654790) is 2-amino-4-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrrole-3-carboxylic acid.
What is the SMILES notation for 2-amino-4-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrrole-3-carboxylic acid?
The canonical SMILES for 2-amino-4-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrrole-3-carboxylic acid is Nc1c(C(=O)O)c(-c2ccc(Cl)cc2)cn1-c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 2-amino-4-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrrole-3-carboxylic acid?
The InChIKey is BEJIOUQDWXUSQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O4S/c18-11-3-1-10(2-4-11)14-9-21(16(19)15(14)17(22)23)12-5-7-13(8-6-12)26(20,24)25/h1-9H,19H2,(H,22,23)(H2,20,24,25).
What are the key properties of 2-amino-4-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrrole-3-carboxylic acid?
2-amino-4-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrrole-3-carboxylic acid has a molecular weight of 391.84 g/mol, XLogP of 2.73, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrrole-3-carboxylic acid is sourced from PubChem (CID 162654790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).