5-(4-chlorophenyl)-2-methyl-1-(4-sulfamoylphenyl)pyrrole-3-carboxylic acid

C18H15ClN2O4S — CID 24894220

IUPAC5-(4-chlorophenyl)-2-methyl-1-(4-sulfamoylphenyl)pyrrole-3-carboxylic acid
SMILESCc1c(C(=O)O)cc(-c2ccc(Cl)cc2)n1-c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C18H15ClN2O4S/c1-11-16(18(22)23)10-17(12-2-4-13(19)5-3-12)21(11)14-6-8-15(9-7-14)26(20,24)25/h2-10H,1H3,(H,22,23)(H2,20,24,25)
InChIKeyMLVCEWBLMXMCLO-UHFFFAOYSA-N
MW390.85 g/mol
LogP3.45
Rot. Bonds4

About 5-(4-chlorophenyl)-2-methyl-1-(4-sulfamoylphenyl)pyrrole-3-carboxylic acid

5-(4-chlorophenyl)-2-methyl-1-(4-sulfamoylphenyl)pyrrole-3-carboxylic acid (PubChem CID 24894220) has the molecular formula C18H15ClN2O4S and a molecular weight of 390.85 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-2-methyl-1-(4-sulfamoylphenyl)pyrrole-3-carboxylic acid.

Molecular Properties

Compound Name5-(4-chlorophenyl)-2-methyl-1-(4-sulfamoylphenyl)pyrrole-3-carboxylic acid
PubChem CID24894220
Molecular FormulaC18H15ClN2O4S
Molecular Weight390.85 g/mol
Exact Mass390.04
IUPAC Name5-(4-chlorophenyl)-2-methyl-1-(4-sulfamoylphenyl)pyrrole-3-carboxylic acid
SMILESCc1c(C(=O)O)cc(-c2ccc(Cl)cc2)n1-c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C18H15ClN2O4S/c1-11-16(18(22)23)10-17(12-2-4-13(19)5-3-12)21(11)14-6-8-15(9-7-14)26(20,24)25/h2-10H,1H3,(H,22,23)(H2,20,24,25)
InChIKeyMLVCEWBLMXMCLO-UHFFFAOYSA-N
XLogP3.45
TPSA102.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.85
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_B(29)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-2-methyl-1-(4-sulfamoylphenyl)pyrrole-3-carboxylic acid?
The IUPAC name of 5-(4-chlorophenyl)-2-methyl-1-(4-sulfamoylphenyl)pyrrole-3-carboxylic acid (CID 24894220) is 5-(4-chlorophenyl)-2-methyl-1-(4-sulfamoylphenyl)pyrrole-3-carboxylic acid.
What is the SMILES notation for 5-(4-chlorophenyl)-2-methyl-1-(4-sulfamoylphenyl)pyrrole-3-carboxylic acid?
The canonical SMILES for 5-(4-chlorophenyl)-2-methyl-1-(4-sulfamoylphenyl)pyrrole-3-carboxylic acid is Cc1c(C(=O)O)cc(-c2ccc(Cl)cc2)n1-c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-2-methyl-1-(4-sulfamoylphenyl)pyrrole-3-carboxylic acid?
The InChIKey is MLVCEWBLMXMCLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O4S/c1-11-16(18(22)23)10-17(12-2-4-13(19)5-3-12)21(11)14-6-8-15(9-7-14)26(20,24)25/h2-10H,1H3,(H,22,23)(H2,20,24,25).
What are the key properties of 5-(4-chlorophenyl)-2-methyl-1-(4-sulfamoylphenyl)pyrrole-3-carboxylic acid?
5-(4-chlorophenyl)-2-methyl-1-(4-sulfamoylphenyl)pyrrole-3-carboxylic acid has a molecular weight of 390.85 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-2-methyl-1-(4-sulfamoylphenyl)pyrrole-3-carboxylic acid is sourced from PubChem (CID 24894220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).