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

C19H18N2O4S — CID 162663860

IUPAC2-methyl-5-(4-methylphenyl)-1-(4-sulfamoylphenyl)pyrrole-3-carboxylic acid
SMILESCc1ccc(-c2cc(C(=O)O)c(C)n2-c2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C19H18N2O4S/c1-12-3-5-14(6-4-12)18-11-17(19(22)23)13(2)21(18)15-7-9-16(10-8-15)26(20,24)25/h3-11H,1-2H3,(H,22,23)(H2,20,24,25)
InChIKeyAZSRZVSONIPYBM-UHFFFAOYSA-N
MW370.43 g/mol
LogP3.11
Rot. Bonds4

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

2-methyl-5-(4-methylphenyl)-1-(4-sulfamoylphenyl)pyrrole-3-carboxylic acid (PubChem CID 162663860) has the molecular formula C19H18N2O4S and a molecular weight of 370.43 g/mol. Its IUPAC name is 2-methyl-5-(4-methylphenyl)-1-(4-sulfamoylphenyl)pyrrole-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-5-(4-methylphenyl)-1-(4-sulfamoylphenyl)pyrrole-3-carboxylic acid
PubChem CID162663860
Molecular FormulaC19H18N2O4S
Molecular Weight370.43 g/mol
Exact Mass370.10
IUPAC Name2-methyl-5-(4-methylphenyl)-1-(4-sulfamoylphenyl)pyrrole-3-carboxylic acid
SMILESCc1ccc(-c2cc(C(=O)O)c(C)n2-c2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C19H18N2O4S/c1-12-3-5-14(6-4-12)18-11-17(19(22)23)13(2)21(18)15-7-9-16(10-8-15)26(20,24)25/h3-11H,1-2H3,(H,22,23)(H2,20,24,25)
InChIKeyAZSRZVSONIPYBM-UHFFFAOYSA-N
XLogP3.11
TPSA102.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 53.11
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 2-methyl-5-(4-methylphenyl)-1-(4-sulfamoylphenyl)pyrrole-3-carboxylic acid?
The IUPAC name of 2-methyl-5-(4-methylphenyl)-1-(4-sulfamoylphenyl)pyrrole-3-carboxylic acid (CID 162663860) is 2-methyl-5-(4-methylphenyl)-1-(4-sulfamoylphenyl)pyrrole-3-carboxylic acid.
What is the SMILES notation for 2-methyl-5-(4-methylphenyl)-1-(4-sulfamoylphenyl)pyrrole-3-carboxylic acid?
The canonical SMILES for 2-methyl-5-(4-methylphenyl)-1-(4-sulfamoylphenyl)pyrrole-3-carboxylic acid is Cc1ccc(-c2cc(C(=O)O)c(C)n2-c2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of 2-methyl-5-(4-methylphenyl)-1-(4-sulfamoylphenyl)pyrrole-3-carboxylic acid?
The InChIKey is AZSRZVSONIPYBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4S/c1-12-3-5-14(6-4-12)18-11-17(19(22)23)13(2)21(18)15-7-9-16(10-8-15)26(20,24)25/h3-11H,1-2H3,(H,22,23)(H2,20,24,25).
What are the key properties of 2-methyl-5-(4-methylphenyl)-1-(4-sulfamoylphenyl)pyrrole-3-carboxylic acid?
2-methyl-5-(4-methylphenyl)-1-(4-sulfamoylphenyl)pyrrole-3-carboxylic acid has a molecular weight of 370.43 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(4-methylphenyl)-1-(4-sulfamoylphenyl)pyrrole-3-carboxylic acid is sourced from PubChem (CID 162663860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).