[1-(2,6-dibromo-3-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride

C10H9Br2ClN2O3S — CID 168673863

IUPAC[1-(2,6-dibromo-3-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
SMILESO=C1CC(CS(=O)(=O)Cl)CN1c1ccc(Br)nc1Br
InChIInChI=1S/C10H9Br2ClN2O3S/c11-8-2-1-7(10(12)14-8)15-4-6(3-9(15)16)5-19(13,17)18/h1-2,6H,3-5H2
InChIKeyVMTDEUWTSKLXTI-UHFFFAOYSA-N
MW432.52 g/mol
LogP2.53
Rot. Bonds3

About [1-(2,6-dibromo-3-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride

[1-(2,6-dibromo-3-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride (PubChem CID 168673863) has the molecular formula C10H9Br2ClN2O3S and a molecular weight of 432.52 g/mol. Its IUPAC name is [1-(2,6-dibromo-3-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride.

Molecular Properties

Compound Name[1-(2,6-dibromo-3-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
PubChem CID168673863
Molecular FormulaC10H9Br2ClN2O3S
Molecular Weight432.52 g/mol
Exact Mass429.84
IUPAC Name[1-(2,6-dibromo-3-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
SMILESO=C1CC(CS(=O)(=O)Cl)CN1c1ccc(Br)nc1Br
InChIInChI=1S/C10H9Br2ClN2O3S/c11-8-2-1-7(10(12)14-8)15-4-6(3-9(15)16)5-19(13,17)18/h1-2,6H,3-5H2
InChIKeyVMTDEUWTSKLXTI-UHFFFAOYSA-N
XLogP2.53
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [1-(2,6-dibromo-3-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride 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-(6-bromopyridazin-3-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168674110
[1-(2-bromo-6-methoxy-3-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168675726
[1-(2,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168673300
[1-(5-chloro-2-fluorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168673985
1-(6-bromo-2-chloro-3-pyridinyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712539
[5-oxo-1-(2,4,5-trichlorophenyl)pyrrolidin-3-yl]methanesulfonyl chloride
CID 168673880
[5-oxo-1-(2,4,5-trifluorophenyl)pyrrolidin-3-yl]methanesulfonyl chloride
CID 168673907
[1-(4-chloro-2-cyanophenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168674147
(5-oxo-1-pyrimidin-2-ylpyrrolidin-3-yl)methanesulfonyl chloride
CID 168674576
[1-(2-chloro-5-fluorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168673991
[1-[4-(4-bromophenyl)pyrimidin-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168674558
[1-(2-iodo-5-methylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168673308

Frequently Asked Questions

What is the IUPAC name of [1-(2,6-dibromo-3-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride?
The IUPAC name of [1-(2,6-dibromo-3-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride (CID 168673863) is [1-(2,6-dibromo-3-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride.
What is the SMILES notation for [1-(2,6-dibromo-3-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride?
The canonical SMILES for [1-(2,6-dibromo-3-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride is O=C1CC(CS(=O)(=O)Cl)CN1c1ccc(Br)nc1Br.
What is the InChIKey of [1-(2,6-dibromo-3-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride?
The InChIKey is VMTDEUWTSKLXTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Br2ClN2O3S/c11-8-2-1-7(10(12)14-8)15-4-6(3-9(15)16)5-19(13,17)18/h1-2,6H,3-5H2.
What are the key properties of [1-(2,6-dibromo-3-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride?
[1-(2,6-dibromo-3-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride has a molecular weight of 432.52 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,6-dibromo-3-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride is sourced from PubChem (CID 168673863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).