1-(3-bromophenyl)-5-oxo-N-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide

C17H16BrN3O4S — CID 155529158

IUPAC1-(3-bromophenyl)-5-oxo-N-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide
SMILESNS(=O)(=O)c1ccc(NC(=O)C2CC(=O)N(c3cccc(Br)c3)C2)cc1
InChIInChI=1S/C17H16BrN3O4S/c18-12-2-1-3-14(9-12)21-10-11(8-16(21)22)17(23)20-13-4-6-15(7-5-13)26(19,24)25/h1-7,9,11H,8,10H2,(H,20,23)(H2,19,24,25)
InChIKeyXRVRIYCPWZRODG-UHFFFAOYSA-N
MW438.30 g/mol
LogP2.09
Rot. Bonds4

About 1-(3-bromophenyl)-5-oxo-N-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide

1-(3-bromophenyl)-5-oxo-N-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide (PubChem CID 155529158) has the molecular formula C17H16BrN3O4S and a molecular weight of 438.30 g/mol. Its IUPAC name is 1-(3-bromophenyl)-5-oxo-N-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-bromophenyl)-5-oxo-N-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide
PubChem CID155529158
Molecular FormulaC17H16BrN3O4S
Molecular Weight438.30 g/mol
Exact Mass437.00
IUPAC Name1-(3-bromophenyl)-5-oxo-N-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide
SMILESNS(=O)(=O)c1ccc(NC(=O)C2CC(=O)N(c3cccc(Br)c3)C2)cc1
InChIInChI=1S/C17H16BrN3O4S/c18-12-2-1-3-14(9-12)21-10-11(8-16(21)22)17(23)20-13-4-6-15(7-5-13)26(19,24)25/h1-7,9,11H,8,10H2,(H,20,23)(H2,19,24,25)
InChIKeyXRVRIYCPWZRODG-UHFFFAOYSA-N
XLogP2.09
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.30
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(3-bromophenyl)-5-oxo-N-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-bromophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 3112067
N-(3-bromophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 2902416
5-oxo-1-phenyl-N-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide
CID 17080567
1-(4-bromophenyl)-5-oxo-N-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide
CID 20109205
1-(2-bromophenyl)-5-oxo-N-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide
CID 155555383
1-tert-butyl-5-oxo-N-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide
CID 6497355
4-({[1-(3-Bromophenyl)-2,5-dioxopyrrolidin-3-yl]amino}methyl)benzenesulfonamide
CID 2858793
N-(3-bromophenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 2948561
N-(4-Bromo-phenyl)-4-(2,5-dioxo-pyrrolidin-1-yl)-benzenesulfonamide
CID 1107073
2-(4-bromoanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 4806474
5-oxo-N-[4-(piperidin-1-ylsulfonyl)phenyl]-1-(propan-2-yl)pyrrolidine-3-carboxamide
CID 6462704
N-{4-[(4-methylpiperidin-1-yl)sulfonyl]phenyl}-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 6497269

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-5-oxo-N-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(3-bromophenyl)-5-oxo-N-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide (CID 155529158) is 1-(3-bromophenyl)-5-oxo-N-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3-bromophenyl)-5-oxo-N-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3-bromophenyl)-5-oxo-N-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide is NS(=O)(=O)c1ccc(NC(=O)C2CC(=O)N(c3cccc(Br)c3)C2)cc1.
What is the InChIKey of 1-(3-bromophenyl)-5-oxo-N-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide?
The InChIKey is XRVRIYCPWZRODG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN3O4S/c18-12-2-1-3-14(9-12)21-10-11(8-16(21)22)17(23)20-13-4-6-15(7-5-13)26(19,24)25/h1-7,9,11H,8,10H2,(H,20,23)(H2,19,24,25).
What are the key properties of 1-(3-bromophenyl)-5-oxo-N-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide?
1-(3-bromophenyl)-5-oxo-N-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide has a molecular weight of 438.30 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-5-oxo-N-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 155529158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).