[1-(2-chloro-5-methoxypyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride

C10H11Cl2N3O4S — CID 168673127

IUPAC[1-(2-chloro-5-methoxypyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
SMILESCOc1cnc(Cl)nc1N1CC(CS(=O)(=O)Cl)CC1=O
InChIInChI=1S/C10H11Cl2N3O4S/c1-19-7-3-13-10(11)14-9(7)15-4-6(2-8(15)16)5-20(12,17)18/h3,6H,2,4-5H2,1H3
InChIKeyQXPRCAVWPKMXRB-UHFFFAOYSA-N
MW340.19 g/mol
LogP1.06
Rot. Bonds4

About [1-(2-chloro-5-methoxypyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride

[1-(2-chloro-5-methoxypyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride (PubChem CID 168673127) has the molecular formula C10H11Cl2N3O4S and a molecular weight of 340.19 g/mol. Its IUPAC name is [1-(2-chloro-5-methoxypyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride.

Molecular Properties

Compound Name[1-(2-chloro-5-methoxypyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
PubChem CID168673127
Molecular FormulaC10H11Cl2N3O4S
Molecular Weight340.19 g/mol
Exact Mass338.98
IUPAC Name[1-(2-chloro-5-methoxypyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
SMILESCOc1cnc(Cl)nc1N1CC(CS(=O)(=O)Cl)CC1=O
InChIInChI=1S/C10H11Cl2N3O4S/c1-19-7-3-13-10(11)14-9(7)15-4-6(2-8(15)16)5-20(12,17)18/h3,6H,2,4-5H2,1H3
InChIKeyQXPRCAVWPKMXRB-UHFFFAOYSA-N
XLogP1.06
TPSA89.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.19
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[1-(5-chloro-2-methoxy-4-methylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168673268
[1-(2-fluoro-6-methoxyphenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168673174
[1-(6-methoxy-3-nitro-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168673093
[1-(6-methoxypyridazin-3-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168673095
[1-(3-iodo-4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168673111
[1-(2-fluoro-3-methoxyphenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168673123
[1-(5-iodo-2-methoxyphenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168673106
[1-(5-chloropyrazin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168674239
1-(5-amino-2-chloropyrimidin-4-yl)-4-(chloromethyl)pyrrolidin-2-one
CID 168509113
(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-(3-methyl-5-nitro-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168673476

Frequently Asked Questions

What is the IUPAC name of [1-(2-chloro-5-methoxypyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride?
The IUPAC name of [1-(2-chloro-5-methoxypyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride (CID 168673127) is [1-(2-chloro-5-methoxypyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride.
What is the SMILES notation for [1-(2-chloro-5-methoxypyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride?
The canonical SMILES for [1-(2-chloro-5-methoxypyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride is COc1cnc(Cl)nc1N1CC(CS(=O)(=O)Cl)CC1=O.
What is the InChIKey of [1-(2-chloro-5-methoxypyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride?
The InChIKey is QXPRCAVWPKMXRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2N3O4S/c1-19-7-3-13-10(11)14-9(7)15-4-6(2-8(15)16)5-20(12,17)18/h3,6H,2,4-5H2,1H3.
What are the key properties of [1-(2-chloro-5-methoxypyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride?
[1-(2-chloro-5-methoxypyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride has a molecular weight of 340.19 g/mol, XLogP of 1.06, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-chloro-5-methoxypyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride is sourced from PubChem (CID 168673127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).