5-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]-2-methyl-1-(4-sulfamoylphenyl)pyrrole-3-carboxamide

C22H25ClN4O3S — CID 24894444

IUPAC5-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]-2-methyl-1-(4-sulfamoylphenyl)pyrrole-3-carboxamide
SMILESCc1c(C(=O)NCCN(C)C)cc(-c2ccc(Cl)cc2)n1-c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C22H25ClN4O3S/c1-15-20(22(28)25-12-13-26(2)3)14-21(16-4-6-17(23)7-5-16)27(15)18-8-10-19(11-9-18)31(24,29)30/h4-11,14H,12-13H2,1-3H3,(H,25,28)(H2,24,29,30)
InChIKeyPHUHDUWZIUMHLX-UHFFFAOYSA-N
MW460.99 g/mol
LogP3.04
Rot. Bonds7

About 5-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]-2-methyl-1-(4-sulfamoylphenyl)pyrrole-3-carboxamide

5-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]-2-methyl-1-(4-sulfamoylphenyl)pyrrole-3-carboxamide (PubChem CID 24894444) has the molecular formula C22H25ClN4O3S and a molecular weight of 460.99 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]-2-methyl-1-(4-sulfamoylphenyl)pyrrole-3-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]-2-methyl-1-(4-sulfamoylphenyl)pyrrole-3-carboxamide
PubChem CID24894444
Molecular FormulaC22H25ClN4O3S
Molecular Weight460.99 g/mol
Exact Mass460.13
IUPAC Name5-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]-2-methyl-1-(4-sulfamoylphenyl)pyrrole-3-carboxamide
SMILESCc1c(C(=O)NCCN(C)C)cc(-c2ccc(Cl)cc2)n1-c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C22H25ClN4O3S/c1-15-20(22(28)25-12-13-26(2)3)14-21(16-4-6-17(23)7-5-16)27(15)18-8-10-19(11-9-18)31(24,29)30/h4-11,14H,12-13H2,1-3H3,(H,25,28)(H2,24,29,30)
InChIKeyPHUHDUWZIUMHLX-UHFFFAOYSA-N
XLogP3.04
TPSA97.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.99
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]-2-methyl-1-(3-methylphenyl)pyrrole-3-carboxamide
CID 42785639
5-(4-chlorophenyl)-2-methyl-1-(4-sulfamoylphenyl)pyrrole-3-carboxylate
CID 24894219
5-(4-chlorophenyl)-2-methyl-1-phenyl-N-propylpyrrole-3-carboxamide
CID 7307046
2-[[5-(4-chlorophenyl)-1-(4-fluorophenyl)-2-methylpyrrole-3-carbonyl]amino]ethyl-dimethylazanium
CID 7306703
5-(4-chlorophenyl)-2-methyl-1-(4-methylphenyl)-N-(3-morpholin-4-ylpropyl)pyrrole-3-carboxamide
CID 42785629
5-(4-chlorophenyl)-1-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-2-methylpyrrole-3-carboxamide
CID 42785571
5-(4-chlorophenyl)-N-ethoxy-2-methyl-1-(4-methylphenyl)pyrrole-3-carboxamide
CID 7212618
5-(4-chlorophenyl)-1-(4-fluorophenyl)-2-methyl-N-(2-methylpropyl)pyrrole-3-carboxamide
CID 7307029
3-[5-(4-chlorophenyl)-2-methyl-3-propanoylpyrrol-1-yl]benzenesulfonamide
CID 162645668
5-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]-1-methylpyrazole-3-carboxamide
CID 110336233
ethyl 5-(4-fluorophenyl)-2-methyl-1-(4-sulfamoylphenyl)pyrrole-3-carboxylate
CID 162663150
N-benzyl-5-(4-chlorophenyl)-1-(4-fluorophenyl)-2-methylpyrrole-3-carboxamide
CID 7307072

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]-2-methyl-1-(4-sulfamoylphenyl)pyrrole-3-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]-2-methyl-1-(4-sulfamoylphenyl)pyrrole-3-carboxamide (CID 24894444) is 5-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]-2-methyl-1-(4-sulfamoylphenyl)pyrrole-3-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]-2-methyl-1-(4-sulfamoylphenyl)pyrrole-3-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]-2-methyl-1-(4-sulfamoylphenyl)pyrrole-3-carboxamide is Cc1c(C(=O)NCCN(C)C)cc(-c2ccc(Cl)cc2)n1-c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]-2-methyl-1-(4-sulfamoylphenyl)pyrrole-3-carboxamide?
The InChIKey is PHUHDUWZIUMHLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN4O3S/c1-15-20(22(28)25-12-13-26(2)3)14-21(16-4-6-17(23)7-5-16)27(15)18-8-10-19(11-9-18)31(24,29)30/h4-11,14H,12-13H2,1-3H3,(H,25,28)(H2,24,29,30).
What are the key properties of 5-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]-2-methyl-1-(4-sulfamoylphenyl)pyrrole-3-carboxamide?
5-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]-2-methyl-1-(4-sulfamoylphenyl)pyrrole-3-carboxamide has a molecular weight of 460.99 g/mol, XLogP of 3.04, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]-2-methyl-1-(4-sulfamoylphenyl)pyrrole-3-carboxamide is sourced from PubChem (CID 24894444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).