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

C16H14BrFN2O3S — CID 7564804

IUPAC4-bromo-N-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide
SMILESO=C1C[C@@H](NS(=O)(=O)c2ccc(Br)cc2)CN1c1ccc(F)cc1
InChIInChI=1S/C16H14BrFN2O3S/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/t13-/m1/s1
InChIKeyLNLCIQTVIMQJOY-CYBMUJFWSA-N
MW413.27 g/mol
LogP2.67
Rot. Bonds4

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

4-bromo-N-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide (PubChem CID 7564804) has the molecular formula C16H14BrFN2O3S and a molecular weight of 413.27 g/mol. Its IUPAC name is 4-bromo-N-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide
PubChem CID7564804
Molecular FormulaC16H14BrFN2O3S
Molecular Weight413.27 g/mol
Exact Mass411.99
IUPAC Name4-bromo-N-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide
SMILESO=C1C[C@@H](NS(=O)(=O)c2ccc(Br)cc2)CN1c1ccc(F)cc1
InChIInChI=1S/C16H14BrFN2O3S/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/t13-/m1/s1
InChIKeyLNLCIQTVIMQJOY-CYBMUJFWSA-N
XLogP2.67
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.27
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide
CID 7564806
4-bromo-N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide
CID 43971454
4-chloro-N-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide
CID 7564803
4-acetyl-N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide
CID 16822444
N-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-4-fluorobenzenesulfonamide
CID 7564571
2-fluoro-N-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide
CID 7564829
4-fluoro-N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide
CID 7564615
4-fluoro-N-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]benzenesulfonamide
CID 40912146
N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-2,5-dimethylthiophene-3-sulfonamide
CID 131892529
N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-methoxybenzenesulfonamide
CID 7564849
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

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide?
The IUPAC name of 4-bromo-N-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide (CID 7564804) is 4-bromo-N-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide?
The canonical SMILES for 4-bromo-N-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide is O=C1C[C@@H](NS(=O)(=O)c2ccc(Br)cc2)CN1c1ccc(F)cc1.
What is the InChIKey of 4-bromo-N-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide?
The InChIKey is LNLCIQTVIMQJOY-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H14BrFN2O3S/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/t13-/m1/s1.
What are the key properties of 4-bromo-N-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide?
4-bromo-N-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide has a molecular weight of 413.27 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide is sourced from PubChem (CID 7564804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).