1-(3-bromo-4-fluorophenyl)-5-oxopyrrolidine-3-sulfonamide

C10H10BrFN2O3S — CID 168718709

IUPAC1-(3-bromo-4-fluorophenyl)-5-oxopyrrolidine-3-sulfonamide
SMILESNS(=O)(=O)C1CC(=O)N(c2ccc(F)c(Br)c2)C1
InChIInChI=1S/C10H10BrFN2O3S/c11-8-3-6(1-2-9(8)12)14-5-7(4-10(14)15)18(13,16)17/h1-3,7H,4-5H2,(H2,13,16,17)
InChIKeyXZUZAQKNDJJFHH-UHFFFAOYSA-N
MW337.17 g/mol
LogP0.98
Rot. Bonds2

About 1-(3-bromo-4-fluorophenyl)-5-oxopyrrolidine-3-sulfonamide

1-(3-bromo-4-fluorophenyl)-5-oxopyrrolidine-3-sulfonamide (PubChem CID 168718709) has the molecular formula C10H10BrFN2O3S and a molecular weight of 337.17 g/mol. Its IUPAC name is 1-(3-bromo-4-fluorophenyl)-5-oxopyrrolidine-3-sulfonamide.

Molecular Properties

Compound Name1-(3-bromo-4-fluorophenyl)-5-oxopyrrolidine-3-sulfonamide
PubChem CID168718709
Molecular FormulaC10H10BrFN2O3S
Molecular Weight337.17 g/mol
Exact Mass335.96
IUPAC Name1-(3-bromo-4-fluorophenyl)-5-oxopyrrolidine-3-sulfonamide
SMILESNS(=O)(=O)C1CC(=O)N(c2ccc(F)c(Br)c2)C1
InChIInChI=1S/C10H10BrFN2O3S/c11-8-3-6(1-2-9(8)12)14-5-7(4-10(14)15)18(13,16)17/h1-3,7H,4-5H2,(H2,13,16,17)
InChIKeyXZUZAQKNDJJFHH-UHFFFAOYSA-N
XLogP0.98
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.17
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromo-4-fluorophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715381
1-(3,4-dibromophenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168718706
1-[4-fluoro-3-(hydroxymethyl)phenyl]-5-oxopyrrolidine-3-sulfonamide
CID 168718735
1-(2-amino-4-bromo-5-fluorophenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168718565
methyl 2-bromo-4-(2-oxo-4-sulfamoylpyrrolidin-1-yl)benzoate
CID 168717280
1-(4-bromo-2-chloro-5-fluorophenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168718503
[1-(3-bromo-4-fluorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168676978
1-(2-bromo-5-fluorophenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168718667
1-(2-bromo-6-fluorophenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168718558
1-(3,4-difluorophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715421
methyl 2-fluoro-4-(2-oxo-4-sulfamoylpyrrolidin-1-yl)benzoate
CID 168717283
1-(3-bromo-4-fluorophenyl)-4-ethynylpyrrolidin-2-one
CID 168502147

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-fluorophenyl)-5-oxopyrrolidine-3-sulfonamide?
The IUPAC name of 1-(3-bromo-4-fluorophenyl)-5-oxopyrrolidine-3-sulfonamide (CID 168718709) is 1-(3-bromo-4-fluorophenyl)-5-oxopyrrolidine-3-sulfonamide.
What is the SMILES notation for 1-(3-bromo-4-fluorophenyl)-5-oxopyrrolidine-3-sulfonamide?
The canonical SMILES for 1-(3-bromo-4-fluorophenyl)-5-oxopyrrolidine-3-sulfonamide is NS(=O)(=O)C1CC(=O)N(c2ccc(F)c(Br)c2)C1.
What is the InChIKey of 1-(3-bromo-4-fluorophenyl)-5-oxopyrrolidine-3-sulfonamide?
The InChIKey is XZUZAQKNDJJFHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrFN2O3S/c11-8-3-6(1-2-9(8)12)14-5-7(4-10(14)15)18(13,16)17/h1-3,7H,4-5H2,(H2,13,16,17).
What are the key properties of 1-(3-bromo-4-fluorophenyl)-5-oxopyrrolidine-3-sulfonamide?
1-(3-bromo-4-fluorophenyl)-5-oxopyrrolidine-3-sulfonamide has a molecular weight of 337.17 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-fluorophenyl)-5-oxopyrrolidine-3-sulfonamide is sourced from PubChem (CID 168718709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).