5-(4-chlorophenyl)-N-(2-hydroxyethyl)-2-methyl-N-propyl-1-(4-sulfamoylphenyl)pyrrole-3-carboxamide

C23H26ClN3O4S — CID 24894347

IUPAC5-(4-chlorophenyl)-N-(2-hydroxyethyl)-2-methyl-N-propyl-1-(4-sulfamoylphenyl)pyrrole-3-carboxamide
SMILESCCCN(CCO)C(=O)c1cc(-c2ccc(Cl)cc2)n(-c2ccc(S(N)(=O)=O)cc2)c1C
InChIInChI=1S/C23H26ClN3O4S/c1-3-12-26(13-14-28)23(29)21-15-22(17-4-6-18(24)7-5-17)27(16(21)2)19-8-10-20(11-9-19)32(25,30)31/h4-11,15,28H,3,12-14H2,1-2H3,(H2,25,30,31)
InChIKeyIYSRGHYQXWLYJU-UHFFFAOYSA-N
MW476.00 g/mol
LogP3.60
Rot. Bonds8

About 5-(4-chlorophenyl)-N-(2-hydroxyethyl)-2-methyl-N-propyl-1-(4-sulfamoylphenyl)pyrrole-3-carboxamide

5-(4-chlorophenyl)-N-(2-hydroxyethyl)-2-methyl-N-propyl-1-(4-sulfamoylphenyl)pyrrole-3-carboxamide (PubChem CID 24894347) has the molecular formula C23H26ClN3O4S and a molecular weight of 476.00 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-(2-hydroxyethyl)-2-methyl-N-propyl-1-(4-sulfamoylphenyl)pyrrole-3-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-(2-hydroxyethyl)-2-methyl-N-propyl-1-(4-sulfamoylphenyl)pyrrole-3-carboxamide
PubChem CID24894347
Molecular FormulaC23H26ClN3O4S
Molecular Weight476.00 g/mol
Exact Mass475.13
IUPAC Name5-(4-chlorophenyl)-N-(2-hydroxyethyl)-2-methyl-N-propyl-1-(4-sulfamoylphenyl)pyrrole-3-carboxamide
SMILESCCCN(CCO)C(=O)c1cc(-c2ccc(Cl)cc2)n(-c2ccc(S(N)(=O)=O)cc2)c1C
InChIInChI=1S/C23H26ClN3O4S/c1-3-12-26(13-14-28)23(29)21-15-22(17-4-6-18(24)7-5-17)27(16(21)2)19-8-10-20(11-9-19)32(25,30)31/h4-11,15,28H,3,12-14H2,1-2H3,(H2,25,30,31)
InChIKeyIYSRGHYQXWLYJU-UHFFFAOYSA-N
XLogP3.60
TPSA105.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.00
LogP ≤ 53.60
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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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-(2-hydroxyethyl)-2-methyl-N-propyl-1-(4-sulfamoylphenyl)pyrrole-3-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-(2-hydroxyethyl)-2-methyl-N-propyl-1-(4-sulfamoylphenyl)pyrrole-3-carboxamide (CID 24894347) is 5-(4-chlorophenyl)-N-(2-hydroxyethyl)-2-methyl-N-propyl-1-(4-sulfamoylphenyl)pyrrole-3-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-(2-hydroxyethyl)-2-methyl-N-propyl-1-(4-sulfamoylphenyl)pyrrole-3-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-(2-hydroxyethyl)-2-methyl-N-propyl-1-(4-sulfamoylphenyl)pyrrole-3-carboxamide is CCCN(CCO)C(=O)c1cc(-c2ccc(Cl)cc2)n(-c2ccc(S(N)(=O)=O)cc2)c1C.
What is the InChIKey of 5-(4-chlorophenyl)-N-(2-hydroxyethyl)-2-methyl-N-propyl-1-(4-sulfamoylphenyl)pyrrole-3-carboxamide?
The InChIKey is IYSRGHYQXWLYJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN3O4S/c1-3-12-26(13-14-28)23(29)21-15-22(17-4-6-18(24)7-5-17)27(16(21)2)19-8-10-20(11-9-19)32(25,30)31/h4-11,15,28H,3,12-14H2,1-2H3,(H2,25,30,31).
What are the key properties of 5-(4-chlorophenyl)-N-(2-hydroxyethyl)-2-methyl-N-propyl-1-(4-sulfamoylphenyl)pyrrole-3-carboxamide?
5-(4-chlorophenyl)-N-(2-hydroxyethyl)-2-methyl-N-propyl-1-(4-sulfamoylphenyl)pyrrole-3-carboxamide has a molecular weight of 476.00 g/mol, XLogP of 3.60, 8 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-hydroxyethyl)-2-methyl-N-propyl-1-(4-sulfamoylphenyl)pyrrole-3-carboxamide is sourced from PubChem (CID 24894347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).