[1-(6-bromopyridazin-3-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride

C9H9BrClN3O3S — CID 168674110

IUPAC[1-(6-bromopyridazin-3-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
SMILESO=C1CC(CS(=O)(=O)Cl)CN1c1ccc(Br)nn1
InChIInChI=1S/C9H9BrClN3O3S/c10-7-1-2-8(13-12-7)14-4-6(3-9(14)15)5-18(11,16)17/h1-2,6H,3-5H2
InChIKeyHECNVBQNENHIOH-UHFFFAOYSA-N
MW354.61 g/mol
LogP1.16
Rot. Bonds3

About [1-(6-bromopyridazin-3-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride

[1-(6-bromopyridazin-3-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride (PubChem CID 168674110) has the molecular formula C9H9BrClN3O3S and a molecular weight of 354.61 g/mol. Its IUPAC name is [1-(6-bromopyridazin-3-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride.

Molecular Properties

Compound Name[1-(6-bromopyridazin-3-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
PubChem CID168674110
Molecular FormulaC9H9BrClN3O3S
Molecular Weight354.61 g/mol
Exact Mass352.92
IUPAC Name[1-(6-bromopyridazin-3-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
SMILESO=C1CC(CS(=O)(=O)Cl)CN1c1ccc(Br)nn1
InChIInChI=1S/C9H9BrClN3O3S/c10-7-1-2-8(13-12-7)14-4-6(3-9(14)15)5-18(11,16)17/h1-2,6H,3-5H2
InChIKeyHECNVBQNENHIOH-UHFFFAOYSA-N
XLogP1.16
TPSA80.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.61
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(6-methylpyridazin-3-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168673487
[1-(6-methoxypyridazin-3-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168673095
[1-(2,6-dibromo-3-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168673863
(5-oxo-1-pyrimidin-4-ylpyrrolidin-3-yl)methanesulfonyl chloride
CID 168674585
[1-(5-chloropyrazin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168674239
(5-oxo-1-pyrimidin-2-ylpyrrolidin-3-yl)methanesulfonyl chloride
CID 168674576
[1-(6-methylpyrazin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168673528
[1-[5-bromo-4-(trifluoromethyl)-2-pyridinyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168674232
[1-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168672926
[1-(4-bromo-3-nitrophenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168674045
[5-oxo-1-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]methanesulfonyl chloride
CID 168674565
[1-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168674485

Frequently Asked Questions

What is the IUPAC name of [1-(6-bromopyridazin-3-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride?
The IUPAC name of [1-(6-bromopyridazin-3-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride (CID 168674110) is [1-(6-bromopyridazin-3-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride.
What is the SMILES notation for [1-(6-bromopyridazin-3-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride?
The canonical SMILES for [1-(6-bromopyridazin-3-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride is O=C1CC(CS(=O)(=O)Cl)CN1c1ccc(Br)nn1.
What is the InChIKey of [1-(6-bromopyridazin-3-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride?
The InChIKey is HECNVBQNENHIOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrClN3O3S/c10-7-1-2-8(13-12-7)14-4-6(3-9(14)15)5-18(11,16)17/h1-2,6H,3-5H2.
What are the key properties of [1-(6-bromopyridazin-3-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride?
[1-(6-bromopyridazin-3-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride has a molecular weight of 354.61 g/mol, XLogP of 1.16, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-bromopyridazin-3-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride is sourced from PubChem (CID 168674110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).