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

C10H10BrIN2O3S — CID 168718643

IUPAC1-(5-bromo-2-iodophenyl)-5-oxopyrrolidine-3-sulfonamide
SMILESNS(=O)(=O)C1CC(=O)N(c2cc(Br)ccc2I)C1
InChIInChI=1S/C10H10BrIN2O3S/c11-6-1-2-8(12)9(3-6)14-5-7(4-10(14)15)18(13,16)17/h1-3,7H,4-5H2,(H2,13,16,17)
InChIKeyVNZHSRPRNXAECC-UHFFFAOYSA-N
MW445.08 g/mol
LogP1.45
Rot. Bonds2

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

1-(5-bromo-2-iodophenyl)-5-oxopyrrolidine-3-sulfonamide (PubChem CID 168718643) has the molecular formula C10H10BrIN2O3S and a molecular weight of 445.08 g/mol. Its IUPAC name is 1-(5-bromo-2-iodophenyl)-5-oxopyrrolidine-3-sulfonamide.

Molecular Properties

Compound Name1-(5-bromo-2-iodophenyl)-5-oxopyrrolidine-3-sulfonamide
PubChem CID168718643
Molecular FormulaC10H10BrIN2O3S
Molecular Weight445.08 g/mol
Exact Mass443.86
IUPAC Name1-(5-bromo-2-iodophenyl)-5-oxopyrrolidine-3-sulfonamide
SMILESNS(=O)(=O)C1CC(=O)N(c2cc(Br)ccc2I)C1
InChIInChI=1S/C10H10BrIN2O3S/c11-6-1-2-8(12)9(3-6)14-5-7(4-10(14)15)18(13,16)17/h1-3,7H,4-5H2,(H2,13,16,17)
InChIKeyVNZHSRPRNXAECC-UHFFFAOYSA-N
XLogP1.45
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.08
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-(5-bromo-2-methylphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717723
1-(4-bromo-2-methylphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717628
methyl 4-bromo-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)benzoate
CID 168717276
1-(4-bromo-2-iodophenyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712530
1-(2-chloro-4-iodophenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168718951
1-(5-bromo-2-iodophenyl)-4-(chloromethyl)pyrrolidin-2-one
CID 168508723
1-(4-bromo-2-chloro-5-fluorophenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168718503
1-(2-bromo-5-fluorophenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168718667
1-(2-amino-4-bromo-5-fluorophenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168718565
1-(3,4-dibromophenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168718706
1-(2-chloro-4-cyanophenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168718905
1-(2-bromo-5-methyl-3-pyridinyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717714

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-iodophenyl)-5-oxopyrrolidine-3-sulfonamide?
The IUPAC name of 1-(5-bromo-2-iodophenyl)-5-oxopyrrolidine-3-sulfonamide (CID 168718643) is 1-(5-bromo-2-iodophenyl)-5-oxopyrrolidine-3-sulfonamide.
What is the SMILES notation for 1-(5-bromo-2-iodophenyl)-5-oxopyrrolidine-3-sulfonamide?
The canonical SMILES for 1-(5-bromo-2-iodophenyl)-5-oxopyrrolidine-3-sulfonamide is NS(=O)(=O)C1CC(=O)N(c2cc(Br)ccc2I)C1.
What is the InChIKey of 1-(5-bromo-2-iodophenyl)-5-oxopyrrolidine-3-sulfonamide?
The InChIKey is VNZHSRPRNXAECC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrIN2O3S/c11-6-1-2-8(12)9(3-6)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-(5-bromo-2-iodophenyl)-5-oxopyrrolidine-3-sulfonamide?
1-(5-bromo-2-iodophenyl)-5-oxopyrrolidine-3-sulfonamide has a molecular weight of 445.08 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-iodophenyl)-5-oxopyrrolidine-3-sulfonamide is sourced from PubChem (CID 168718643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).