1-(3,4-dibromophenyl)-5-oxopyrrolidine-3-sulfonamide

C10H10Br2N2O3S — CID 168718706

IUPAC1-(3,4-dibromophenyl)-5-oxopyrrolidine-3-sulfonamide
SMILESNS(=O)(=O)C1CC(=O)N(c2ccc(Br)c(Br)c2)C1
InChIInChI=1S/C10H10Br2N2O3S/c11-8-2-1-6(3-9(8)12)14-5-7(4-10(14)15)18(13,16)17/h1-3,7H,4-5H2,(H2,13,16,17)
InChIKeyNOJXJKLFXDPAKJ-UHFFFAOYSA-N
MW398.08 g/mol
LogP1.61
Rot. Bonds2

About 1-(3,4-dibromophenyl)-5-oxopyrrolidine-3-sulfonamide

1-(3,4-dibromophenyl)-5-oxopyrrolidine-3-sulfonamide (PubChem CID 168718706) has the molecular formula C10H10Br2N2O3S and a molecular weight of 398.08 g/mol. Its IUPAC name is 1-(3,4-dibromophenyl)-5-oxopyrrolidine-3-sulfonamide.

Molecular Properties

Compound Name1-(3,4-dibromophenyl)-5-oxopyrrolidine-3-sulfonamide
PubChem CID168718706
Molecular FormulaC10H10Br2N2O3S
Molecular Weight398.08 g/mol
Exact Mass395.88
IUPAC Name1-(3,4-dibromophenyl)-5-oxopyrrolidine-3-sulfonamide
SMILESNS(=O)(=O)C1CC(=O)N(c2ccc(Br)c(Br)c2)C1
InChIInChI=1S/C10H10Br2N2O3S/c11-8-2-1-6(3-9(8)12)14-5-7(4-10(14)15)18(13,16)17/h1-3,7H,4-5H2,(H2,13,16,17)
InChIKeyNOJXJKLFXDPAKJ-UHFFFAOYSA-N
XLogP1.61
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.08
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromo-4-fluorophenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168718709
methyl 2-bromo-4-(2-oxo-4-sulfamoylpyrrolidin-1-yl)benzoate
CID 168717280
1-(2-bromo-5-fluorophenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168718667
1-(3-bromo-4-fluorophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715381
1-(2-chloro-4-pyridinyl)-5-oxopyrrolidine-3-sulfonamide
CID 168719282
1-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717870
5-oxo-1-pyridin-4-ylpyrrolidine-3-sulfonamide
CID 168719467
1-(4-ethynylphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168716761
1-(3-cyano-4-methylphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717734
1-(4-chloro-3-methoxyphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717379
1-[4-fluoro-3-(hydroxymethyl)phenyl]-5-oxopyrrolidine-3-sulfonamide
CID 168718735
5-oxo-1-(3-piperidin-1-ylphenyl)pyrrolidine-3-sulfonamide
CID 168719420

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dibromophenyl)-5-oxopyrrolidine-3-sulfonamide?
The IUPAC name of 1-(3,4-dibromophenyl)-5-oxopyrrolidine-3-sulfonamide (CID 168718706) is 1-(3,4-dibromophenyl)-5-oxopyrrolidine-3-sulfonamide.
What is the SMILES notation for 1-(3,4-dibromophenyl)-5-oxopyrrolidine-3-sulfonamide?
The canonical SMILES for 1-(3,4-dibromophenyl)-5-oxopyrrolidine-3-sulfonamide is NS(=O)(=O)C1CC(=O)N(c2ccc(Br)c(Br)c2)C1.
What is the InChIKey of 1-(3,4-dibromophenyl)-5-oxopyrrolidine-3-sulfonamide?
The InChIKey is NOJXJKLFXDPAKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Br2N2O3S/c11-8-2-1-6(3-9(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-(3,4-dibromophenyl)-5-oxopyrrolidine-3-sulfonamide?
1-(3,4-dibromophenyl)-5-oxopyrrolidine-3-sulfonamide has a molecular weight of 398.08 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dibromophenyl)-5-oxopyrrolidine-3-sulfonamide is sourced from PubChem (CID 168718706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).