[1-(5-chloropyrazin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride

C9H9Cl2N3O3S — CID 168674239

IUPAC[1-(5-chloropyrazin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
SMILESO=C1CC(CS(=O)(=O)Cl)CN1c1cnc(Cl)cn1
InChIInChI=1S/C9H9Cl2N3O3S/c10-7-2-13-8(3-12-7)14-4-6(1-9(14)15)5-18(11,16)17/h2-3,6H,1,4-5H2
InChIKeyJHBYOUSLPCCDSO-UHFFFAOYSA-N
MW310.16 g/mol
LogP1.05
Rot. Bonds3

About [1-(5-chloropyrazin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride

[1-(5-chloropyrazin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride (PubChem CID 168674239) has the molecular formula C9H9Cl2N3O3S and a molecular weight of 310.16 g/mol. Its IUPAC name is [1-(5-chloropyrazin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride.

Molecular Properties

Compound Name[1-(5-chloropyrazin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
PubChem CID168674239
Molecular FormulaC9H9Cl2N3O3S
Molecular Weight310.16 g/mol
Exact Mass308.97
IUPAC Name[1-(5-chloropyrazin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
SMILESO=C1CC(CS(=O)(=O)Cl)CN1c1cnc(Cl)cn1
InChIInChI=1S/C9H9Cl2N3O3S/c10-7-2-13-8(3-12-7)14-4-6(1-9(14)15)5-18(11,16)17/h2-3,6H,1,4-5H2
InChIKeyJHBYOUSLPCCDSO-UHFFFAOYSA-N
XLogP1.05
TPSA80.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.16
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(5-oxo-1-pyrimidin-4-ylpyrrolidin-3-yl)methanesulfonyl chloride
CID 168674585
(5-oxo-1-pyrimidin-2-ylpyrrolidin-3-yl)methanesulfonyl chloride
CID 168674576
S-[[1-(5-chloropyrazin-2-yl)-5-oxopyrrolidin-3-yl]methyl] ethanethioate
CID 168668505
[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-(6-bromopyridazin-3-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168674110
[1-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168672926
[1-(6-methylpyridazin-3-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168673487
5-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pyrazine-2-carboxylic acid
CID 168677341
[1-(6-methoxypyridazin-3-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168673095
[5-oxo-1-(2,4,5-trichlorophenyl)pyrrolidin-3-yl]methanesulfonyl chloride
CID 168673880
[5-oxo-1-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]methanesulfonyl chloride
CID 168674565

Frequently Asked Questions

What is the IUPAC name of [1-(5-chloropyrazin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride?
The IUPAC name of [1-(5-chloropyrazin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride (CID 168674239) is [1-(5-chloropyrazin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride.
What is the SMILES notation for [1-(5-chloropyrazin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride?
The canonical SMILES for [1-(5-chloropyrazin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride is O=C1CC(CS(=O)(=O)Cl)CN1c1cnc(Cl)cn1.
What is the InChIKey of [1-(5-chloropyrazin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride?
The InChIKey is JHBYOUSLPCCDSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2N3O3S/c10-7-2-13-8(3-12-7)14-4-6(1-9(14)15)5-18(11,16)17/h2-3,6H,1,4-5H2.
What are the key properties of [1-(5-chloropyrazin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride?
[1-(5-chloropyrazin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride has a molecular weight of 310.16 g/mol, XLogP of 1.05, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-chloropyrazin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride is sourced from PubChem (CID 168674239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).