1-(3-bromo-5-nitro-2-pyridinyl)-5-oxopyrrolidine-3-sulfonamide

C9H9BrN4O5S — CID 168719105

IUPAC1-(3-bromo-5-nitro-2-pyridinyl)-5-oxopyrrolidine-3-sulfonamide
SMILESNS(=O)(=O)C1CC(=O)N(c2ncc([N+](=O)[O-])cc2Br)C1
InChIInChI=1S/C9H9BrN4O5S/c10-7-1-5(14(16)17)3-12-9(7)13-4-6(2-8(13)15)20(11,18)19/h1,3,6H,2,4H2,(H2,11,18,19)
InChIKeyXBURSYLXYKFGOB-UHFFFAOYSA-N
MW365.17 g/mol
LogP0.15
Rot. Bonds3

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

1-(3-bromo-5-nitro-2-pyridinyl)-5-oxopyrrolidine-3-sulfonamide (PubChem CID 168719105) has the molecular formula C9H9BrN4O5S and a molecular weight of 365.17 g/mol. Its IUPAC name is 1-(3-bromo-5-nitro-2-pyridinyl)-5-oxopyrrolidine-3-sulfonamide.

Molecular Properties

Compound Name1-(3-bromo-5-nitro-2-pyridinyl)-5-oxopyrrolidine-3-sulfonamide
PubChem CID168719105
Molecular FormulaC9H9BrN4O5S
Molecular Weight365.17 g/mol
Exact Mass363.95
IUPAC Name1-(3-bromo-5-nitro-2-pyridinyl)-5-oxopyrrolidine-3-sulfonamide
SMILESNS(=O)(=O)C1CC(=O)N(c2ncc([N+](=O)[O-])cc2Br)C1
InChIInChI=1S/C9H9BrN4O5S/c10-7-1-5(14(16)17)3-12-9(7)13-4-6(2-8(13)15)20(11,18)19/h1,3,6H,2,4H2,(H2,11,18,19)
InChIKeyXBURSYLXYKFGOB-UHFFFAOYSA-N
XLogP0.15
TPSA136.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.17
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-(3-bromo-5-nitro-2-pyridinyl)-5-oxopyrrolidine-3-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-bromo-5-nitro-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712669
1-(2-chloro-5-nitropyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonamide
CID 168719060
1-(3-amino-6-bromopyrazin-2-yl)-5-oxopyrrolidine-3-sulfonamide
CID 168719062
1-(5-bromo-3-chloropyrazin-2-yl)-5-oxopyrrolidine-3-sulfonamide
CID 168719093
1-(5-bromo-2-chloropyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonamide
CID 168719055
1-[5-bromo-3-(hydroxymethyl)-2-pyridinyl]-5-oxopyrrolidine-3-sulfonamide
CID 168718496
1-(5-chloro-3-hydroxy-2-pyridinyl)-5-oxopyrrolidine-3-sulfonamide
CID 168718581
1-(5-bromo-2-chloro-4-pyridinyl)-5-oxopyrrolidine-3-sulfonamide
CID 168718689
1-(4-bromo-5-methoxy-2-nitrophenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717371
1-(2-bromo-5-methyl-3-pyridinyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717714
1-(2-methoxy-4-nitrophenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717383
4-nitro-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)benzoic acid
CID 168718684

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-nitro-2-pyridinyl)-5-oxopyrrolidine-3-sulfonamide?
The IUPAC name of 1-(3-bromo-5-nitro-2-pyridinyl)-5-oxopyrrolidine-3-sulfonamide (CID 168719105) is 1-(3-bromo-5-nitro-2-pyridinyl)-5-oxopyrrolidine-3-sulfonamide.
What is the SMILES notation for 1-(3-bromo-5-nitro-2-pyridinyl)-5-oxopyrrolidine-3-sulfonamide?
The canonical SMILES for 1-(3-bromo-5-nitro-2-pyridinyl)-5-oxopyrrolidine-3-sulfonamide is NS(=O)(=O)C1CC(=O)N(c2ncc([N+](=O)[O-])cc2Br)C1.
What is the InChIKey of 1-(3-bromo-5-nitro-2-pyridinyl)-5-oxopyrrolidine-3-sulfonamide?
The InChIKey is XBURSYLXYKFGOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN4O5S/c10-7-1-5(14(16)17)3-12-9(7)13-4-6(2-8(13)15)20(11,18)19/h1,3,6H,2,4H2,(H2,11,18,19).
What are the key properties of 1-(3-bromo-5-nitro-2-pyridinyl)-5-oxopyrrolidine-3-sulfonamide?
1-(3-bromo-5-nitro-2-pyridinyl)-5-oxopyrrolidine-3-sulfonamide has a molecular weight of 365.17 g/mol, XLogP of 0.15, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-nitro-2-pyridinyl)-5-oxopyrrolidine-3-sulfonamide is sourced from PubChem (CID 168719105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).