1-(2-bromophenyl)-5-oxo-N-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide

C17H16BrN3O4S — CID 155555383

IUPAC1-(2-bromophenyl)-5-oxo-N-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide
SMILESNS(=O)(=O)c1ccc(NC(=O)C2CC(=O)N(c3ccccc3Br)C2)cc1
InChIInChI=1S/C17H16BrN3O4S/c18-14-3-1-2-4-15(14)21-10-11(9-16(21)22)17(23)20-12-5-7-13(8-6-12)26(19,24)25/h1-8,11H,9-10H2,(H,20,23)(H2,19,24,25)
InChIKeyBITDKWNMAVDYRW-UHFFFAOYSA-N
MW438.30 g/mol
LogP2.09
Rot. Bonds4

About 1-(2-bromophenyl)-5-oxo-N-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide

1-(2-bromophenyl)-5-oxo-N-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide (PubChem CID 155555383) has the molecular formula C17H16BrN3O4S and a molecular weight of 438.30 g/mol. Its IUPAC name is 1-(2-bromophenyl)-5-oxo-N-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-bromophenyl)-5-oxo-N-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide
PubChem CID155555383
Molecular FormulaC17H16BrN3O4S
Molecular Weight438.30 g/mol
Exact Mass437.00
IUPAC Name1-(2-bromophenyl)-5-oxo-N-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide
SMILESNS(=O)(=O)c1ccc(NC(=O)C2CC(=O)N(c3ccccc3Br)C2)cc1
InChIInChI=1S/C17H16BrN3O4S/c18-14-3-1-2-4-15(14)21-10-11(9-16(21)22)17(23)20-12-5-7-13(8-6-12)26(19,24)25/h1-8,11H,9-10H2,(H,20,23)(H2,19,24,25)
InChIKeyBITDKWNMAVDYRW-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

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Related Compounds

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-(3-bromophenyl)-5-oxo-N-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide
CID 155529158
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-(2-bromophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 2985043
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
N-{4-[(3-methylpiperidin-1-yl)sulfonyl]phenyl}-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 6497283
1-tert-butyl-5-oxo-N-[4-(piperidin-1-ylsulfonyl)phenyl]pyrrolidine-3-carboxamide
CID 6497362

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-5-oxo-N-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-bromophenyl)-5-oxo-N-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide (CID 155555383) is 1-(2-bromophenyl)-5-oxo-N-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-bromophenyl)-5-oxo-N-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-bromophenyl)-5-oxo-N-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide is NS(=O)(=O)c1ccc(NC(=O)C2CC(=O)N(c3ccccc3Br)C2)cc1.
What is the InChIKey of 1-(2-bromophenyl)-5-oxo-N-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide?
The InChIKey is BITDKWNMAVDYRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN3O4S/c18-14-3-1-2-4-15(14)21-10-11(9-16(21)22)17(23)20-12-5-7-13(8-6-12)26(19,24)25/h1-8,11H,9-10H2,(H,20,23)(H2,19,24,25).
What are the key properties of 1-(2-bromophenyl)-5-oxo-N-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide?
1-(2-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-(2-bromophenyl)-5-oxo-N-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 155555383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).