1-(2-bromo-5-fluorophenyl)-5-oxopyrrolidine-3-sulfonamide

C10H10BrFN2O3S — CID 168718667

IUPAC1-(2-bromo-5-fluorophenyl)-5-oxopyrrolidine-3-sulfonamide
SMILESNS(=O)(=O)C1CC(=O)N(c2cc(F)ccc2Br)C1
InChIInChI=1S/C10H10BrFN2O3S/c11-8-2-1-6(12)3-9(8)14-5-7(4-10(14)15)18(13,16)17/h1-3,7H,4-5H2,(H2,13,16,17)
InChIKeyGHGNESYBQINJPL-UHFFFAOYSA-N
MW337.17 g/mol
LogP0.98
Rot. Bonds2

About 1-(2-bromo-5-fluorophenyl)-5-oxopyrrolidine-3-sulfonamide

1-(2-bromo-5-fluorophenyl)-5-oxopyrrolidine-3-sulfonamide (PubChem CID 168718667) has the molecular formula C10H10BrFN2O3S and a molecular weight of 337.17 g/mol. Its IUPAC name is 1-(2-bromo-5-fluorophenyl)-5-oxopyrrolidine-3-sulfonamide.

Molecular Properties

Compound Name1-(2-bromo-5-fluorophenyl)-5-oxopyrrolidine-3-sulfonamide
PubChem CID168718667
Molecular FormulaC10H10BrFN2O3S
Molecular Weight337.17 g/mol
Exact Mass335.96
IUPAC Name1-(2-bromo-5-fluorophenyl)-5-oxopyrrolidine-3-sulfonamide
SMILESNS(=O)(=O)C1CC(=O)N(c2cc(F)ccc2Br)C1
InChIInChI=1S/C10H10BrFN2O3S/c11-8-2-1-6(12)3-9(8)14-5-7(4-10(14)15)18(13,16)17/h1-3,7H,4-5H2,(H2,13,16,17)
InChIKeyGHGNESYBQINJPL-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-(2-amino-4-bromo-5-fluorophenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168718565
1-(4-fluoro-2-methoxyphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717376
1-(4-bromo-2-chloro-5-fluorophenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168718503
1-(3,4-dibromophenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168718706
1-(3-bromo-4-fluorophenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168718709
1-[(2-bromo-5-fluorophenyl)methyl]-5-oxopyrrolidine-3-sulfonamide
CID 168718297
1-(5-bromo-2-chloro-4-pyridinyl)-5-oxopyrrolidine-3-sulfonamide
CID 168718689
1-(4-bromo-5-fluoro-2-methoxyphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717353
5-oxo-1-(2,3,4-trifluorophenyl)pyrrolidine-3-sulfonamide
CID 168718544
1-(5-bromo-2-iodophenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168718643
1-(5-bromo-2-methylphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717723
1-(2-bromo-6-fluorophenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168718558

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-fluorophenyl)-5-oxopyrrolidine-3-sulfonamide?
The IUPAC name of 1-(2-bromo-5-fluorophenyl)-5-oxopyrrolidine-3-sulfonamide (CID 168718667) is 1-(2-bromo-5-fluorophenyl)-5-oxopyrrolidine-3-sulfonamide.
What is the SMILES notation for 1-(2-bromo-5-fluorophenyl)-5-oxopyrrolidine-3-sulfonamide?
The canonical SMILES for 1-(2-bromo-5-fluorophenyl)-5-oxopyrrolidine-3-sulfonamide is NS(=O)(=O)C1CC(=O)N(c2cc(F)ccc2Br)C1.
What is the InChIKey of 1-(2-bromo-5-fluorophenyl)-5-oxopyrrolidine-3-sulfonamide?
The InChIKey is GHGNESYBQINJPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrFN2O3S/c11-8-2-1-6(12)3-9(8)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-(2-bromo-5-fluorophenyl)-5-oxopyrrolidine-3-sulfonamide?
1-(2-bromo-5-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-(2-bromo-5-fluorophenyl)-5-oxopyrrolidine-3-sulfonamide is sourced from PubChem (CID 168718667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).