4-bromo-N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide

C16H14BrClN2O3S — CID 43971454

IUPAC4-bromo-N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide
SMILESO=C1CC(NS(=O)(=O)c2ccc(Br)cc2)CN1c1ccc(Cl)cc1
InChIInChI=1S/C16H14BrClN2O3S/c17-11-1-7-15(8-2-11)24(22,23)19-13-9-16(21)20(10-13)14-5-3-12(18)4-6-14/h1-8,13,19H,9-10H2
InChIKeyQJYVIQMHGNSUMH-UHFFFAOYSA-N
MW429.72 g/mol
LogP3.19
Rot. Bonds4

About 4-bromo-N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide

4-bromo-N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide (PubChem CID 43971454) has the molecular formula C16H14BrClN2O3S and a molecular weight of 429.72 g/mol. Its IUPAC name is 4-bromo-N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide
PubChem CID43971454
Molecular FormulaC16H14BrClN2O3S
Molecular Weight429.72 g/mol
Exact Mass427.96
IUPAC Name4-bromo-N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide
SMILESO=C1CC(NS(=O)(=O)c2ccc(Br)cc2)CN1c1ccc(Cl)cc1
InChIInChI=1S/C16H14BrClN2O3S/c17-11-1-7-15(8-2-11)24(22,23)19-13-9-16(21)20(10-13)14-5-3-12(18)4-6-14/h1-8,13,19H,9-10H2
InChIKeyQJYVIQMHGNSUMH-UHFFFAOYSA-N
XLogP3.19
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.72
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide
CID 7564803
4-bromo-N-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide
CID 7564804
N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-methoxybenzenesulfonamide
CID 7564849
4-acetyl-N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide
CID 7256559
N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide
CID 7564855
4-fluoro-N-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide
CID 7564806
N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 7564831
4-chloro-N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide
CID 16829572
4-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]sulfamoyl]benzoic acid
CID 43971395
4-methoxy-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]benzenesulfonamide
CID 7564467
N-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide
CID 7564660
4-acetyl-N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide
CID 16822444

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide?
The IUPAC name of 4-bromo-N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide (CID 43971454) is 4-bromo-N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide?
The canonical SMILES for 4-bromo-N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide is O=C1CC(NS(=O)(=O)c2ccc(Br)cc2)CN1c1ccc(Cl)cc1.
What is the InChIKey of 4-bromo-N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide?
The InChIKey is QJYVIQMHGNSUMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrClN2O3S/c17-11-1-7-15(8-2-11)24(22,23)19-13-9-16(21)20(10-13)14-5-3-12(18)4-6-14/h1-8,13,19H,9-10H2.
What are the key properties of 4-bromo-N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide?
4-bromo-N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide has a molecular weight of 429.72 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide is sourced from PubChem (CID 43971454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).