1-(2,5-dichloropyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonyl chloride

C8H6Cl3N3O3S — CID 168712631

IUPAC1-(2,5-dichloropyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonyl chloride
SMILESO=C1CC(S(=O)(=O)Cl)CN1c1nc(Cl)ncc1Cl
InChIInChI=1S/C8H6Cl3N3O3S/c9-5-2-12-8(10)13-7(5)14-3-4(1-6(14)15)18(11,16)17/h2,4H,1,3H2
InChIKeyCVZMKJNMWQKHGU-UHFFFAOYSA-N
MW330.58 g/mol
LogP1.46
Rot. Bonds2

About 1-(2,5-dichloropyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonyl chloride

1-(2,5-dichloropyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonyl chloride (PubChem CID 168712631) has the molecular formula C8H6Cl3N3O3S and a molecular weight of 330.58 g/mol. Its IUPAC name is 1-(2,5-dichloropyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonyl chloride.

Molecular Properties

Compound Name1-(2,5-dichloropyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonyl chloride
PubChem CID168712631
Molecular FormulaC8H6Cl3N3O3S
Molecular Weight330.58 g/mol
Exact Mass328.92
IUPAC Name1-(2,5-dichloropyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonyl chloride
SMILESO=C1CC(S(=O)(=O)Cl)CN1c1nc(Cl)ncc1Cl
InChIInChI=1S/C8H6Cl3N3O3S/c9-5-2-12-8(10)13-7(5)14-3-4(1-6(14)15)18(11,16)17/h2,4H,1,3H2
InChIKeyCVZMKJNMWQKHGU-UHFFFAOYSA-N
XLogP1.46
TPSA80.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.58
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-1-(2,5-dichloropyrimidin-4-yl)pyrrolidin-2-one
CID 168700844
1-(5-amino-2-chloropyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonamide
CID 168719034
1-(5-bromo-2-chloropyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonamide
CID 168719055
methyl 1-(2,5-dichloropyrimidin-4-yl)-5-oxopyrrolidine-3-carboxylate
CID 168694945
1-(2-chloro-5-nitropyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonamide
CID 168719060
1-(4,6-dichloropyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712929
5-oxo-1-pyrimidin-2-ylpyrrolidine-3-sulfonyl chloride
CID 168712980
1-isoquinolin-1-yl-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712977
1-(5-bromo-3-methyl-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711824
1-(1,7-naphthyridin-8-yl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712978
1-(3-bromo-5-chloropyrazin-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715138
[1-(2-chloro-5-methoxypyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168673127

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichloropyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonyl chloride?
The IUPAC name of 1-(2,5-dichloropyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonyl chloride (CID 168712631) is 1-(2,5-dichloropyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonyl chloride.
What is the SMILES notation for 1-(2,5-dichloropyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonyl chloride?
The canonical SMILES for 1-(2,5-dichloropyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonyl chloride is O=C1CC(S(=O)(=O)Cl)CN1c1nc(Cl)ncc1Cl.
What is the InChIKey of 1-(2,5-dichloropyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonyl chloride?
The InChIKey is CVZMKJNMWQKHGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl3N3O3S/c9-5-2-12-8(10)13-7(5)14-3-4(1-6(14)15)18(11,16)17/h2,4H,1,3H2.
What are the key properties of 1-(2,5-dichloropyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonyl chloride?
1-(2,5-dichloropyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonyl chloride has a molecular weight of 330.58 g/mol, XLogP of 1.46, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichloropyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonyl chloride is sourced from PubChem (CID 168712631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).