1-(5-bromo-2-chloro-4-pyridinyl)-5-oxopyrrolidine-3-sulfonamide

C9H9BrClN3O3S — CID 168718689

IUPAC1-(5-bromo-2-chloro-4-pyridinyl)-5-oxopyrrolidine-3-sulfonamide
SMILESNS(=O)(=O)C1CC(=O)N(c2cc(Cl)ncc2Br)C1
InChIInChI=1S/C9H9BrClN3O3S/c10-6-3-13-8(11)2-7(6)14-4-5(1-9(14)15)18(12,16)17/h2-3,5H,1,4H2,(H2,12,16,17)
InChIKeyMUGPULUXAFCDHD-UHFFFAOYSA-N
MW354.61 g/mol
LogP0.89
Rot. Bonds2

About 1-(5-bromo-2-chloro-4-pyridinyl)-5-oxopyrrolidine-3-sulfonamide

1-(5-bromo-2-chloro-4-pyridinyl)-5-oxopyrrolidine-3-sulfonamide (PubChem CID 168718689) has the molecular formula C9H9BrClN3O3S and a molecular weight of 354.61 g/mol. Its IUPAC name is 1-(5-bromo-2-chloro-4-pyridinyl)-5-oxopyrrolidine-3-sulfonamide.

Molecular Properties

Compound Name1-(5-bromo-2-chloro-4-pyridinyl)-5-oxopyrrolidine-3-sulfonamide
PubChem CID168718689
Molecular FormulaC9H9BrClN3O3S
Molecular Weight354.61 g/mol
Exact Mass352.92
IUPAC Name1-(5-bromo-2-chloro-4-pyridinyl)-5-oxopyrrolidine-3-sulfonamide
SMILESNS(=O)(=O)C1CC(=O)N(c2cc(Cl)ncc2Br)C1
InChIInChI=1S/C9H9BrClN3O3S/c10-6-3-13-8(11)2-7(6)14-4-5(1-9(14)15)18(12,16)17/h2-3,5H,1,4H2,(H2,12,16,17)
InChIKeyMUGPULUXAFCDHD-UHFFFAOYSA-N
XLogP0.89
TPSA93.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.61
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-(5-bromo-2-chloropyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonamide
CID 168719055
1-(2-bromo-5-methyl-3-pyridinyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717714
1-(2-chloro-4-pyridinyl)-5-oxopyrrolidine-3-sulfonamide
CID 168719282
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-(4,6-dichloropyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonamide
CID 168719537
1-(5-bromo-3-chloropyrazin-2-yl)-5-oxopyrrolidine-3-sulfonamide
CID 168719093
1-(2-amino-4-bromo-5-fluorophenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168718565
1-(6-chloro-2-methyl-3-pyridinyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717778
1-(5-chloro-3-hydroxy-2-pyridinyl)-5-oxopyrrolidine-3-sulfonamide
CID 168718581
1-(3-amino-6-bromopyrazin-2-yl)-5-oxopyrrolidine-3-sulfonamide
CID 168719062
1-(2-chloro-4-iodophenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168718951

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-chloro-4-pyridinyl)-5-oxopyrrolidine-3-sulfonamide?
The IUPAC name of 1-(5-bromo-2-chloro-4-pyridinyl)-5-oxopyrrolidine-3-sulfonamide (CID 168718689) is 1-(5-bromo-2-chloro-4-pyridinyl)-5-oxopyrrolidine-3-sulfonamide.
What is the SMILES notation for 1-(5-bromo-2-chloro-4-pyridinyl)-5-oxopyrrolidine-3-sulfonamide?
The canonical SMILES for 1-(5-bromo-2-chloro-4-pyridinyl)-5-oxopyrrolidine-3-sulfonamide is NS(=O)(=O)C1CC(=O)N(c2cc(Cl)ncc2Br)C1.
What is the InChIKey of 1-(5-bromo-2-chloro-4-pyridinyl)-5-oxopyrrolidine-3-sulfonamide?
The InChIKey is MUGPULUXAFCDHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrClN3O3S/c10-6-3-13-8(11)2-7(6)14-4-5(1-9(14)15)18(12,16)17/h2-3,5H,1,4H2,(H2,12,16,17).
What are the key properties of 1-(5-bromo-2-chloro-4-pyridinyl)-5-oxopyrrolidine-3-sulfonamide?
1-(5-bromo-2-chloro-4-pyridinyl)-5-oxopyrrolidine-3-sulfonamide has a molecular weight of 354.61 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-chloro-4-pyridinyl)-5-oxopyrrolidine-3-sulfonamide is sourced from PubChem (CID 168718689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).