1-(4,6-dichloropyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonyl chloride

C8H6Cl3N3O3S — CID 168712929

IUPAC1-(4,6-dichloropyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonyl chloride
SMILESO=C1CC(S(=O)(=O)Cl)CN1c1nc(Cl)cc(Cl)n1
InChIInChI=1S/C8H6Cl3N3O3S/c9-5-2-6(10)13-8(12-5)14-3-4(1-7(14)15)18(11,16)17/h2,4H,1,3H2
InChIKeyJLVUMGNZADNPGA-UHFFFAOYSA-N
MW330.58 g/mol
LogP1.46
Rot. Bonds2

About 1-(4,6-dichloropyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonyl chloride

1-(4,6-dichloropyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonyl chloride (PubChem CID 168712929) has the molecular formula C8H6Cl3N3O3S and a molecular weight of 330.58 g/mol. Its IUPAC name is 1-(4,6-dichloropyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonyl chloride.

Molecular Properties

Compound Name1-(4,6-dichloropyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonyl chloride
PubChem CID168712929
Molecular FormulaC8H6Cl3N3O3S
Molecular Weight330.58 g/mol
Exact Mass328.92
IUPAC Name1-(4,6-dichloropyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonyl chloride
SMILESO=C1CC(S(=O)(=O)Cl)CN1c1nc(Cl)cc(Cl)n1
InChIInChI=1S/C8H6Cl3N3O3S/c9-5-2-6(10)13-8(12-5)14-3-4(1-7(14)15)18(11,16)17/h2,4H,1,3H2
InChIKeyJLVUMGNZADNPGA-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

1-(4,6-dichloropyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonamide
CID 168719537
1-(5-bromo-4,6-dichloropyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712655
1-(2-chloro-6-methyl-4-pyridinyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711863
4-amino-1-(4,6-dichloropyrimidin-2-yl)pyrrolidin-2-one
CID 168701271
5-oxo-1-pyrimidin-2-ylpyrrolidine-3-sulfonyl chloride
CID 168712980
1-(2,6-dichloro-4-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715950
1-(5-bromo-4-methylpyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711777
1-(2,5-dichloropyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712631
1-(6-bromo-2-chloro-3-pyridinyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712539
1-(3-bromo-5-chlorophenyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712735
1-(6-chloro-2-methylpyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonamide
CID 168717981
1-(3-chloro-4-iodophenyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712434

Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dichloropyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonyl chloride?
The IUPAC name of 1-(4,6-dichloropyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonyl chloride (CID 168712929) is 1-(4,6-dichloropyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonyl chloride.
What is the SMILES notation for 1-(4,6-dichloropyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonyl chloride?
The canonical SMILES for 1-(4,6-dichloropyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonyl chloride is O=C1CC(S(=O)(=O)Cl)CN1c1nc(Cl)cc(Cl)n1.
What is the InChIKey of 1-(4,6-dichloropyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonyl chloride?
The InChIKey is JLVUMGNZADNPGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl3N3O3S/c9-5-2-6(10)13-8(12-5)14-3-4(1-7(14)15)18(11,16)17/h2,4H,1,3H2.
What are the key properties of 1-(4,6-dichloropyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonyl chloride?
1-(4,6-dichloropyrimidin-2-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-(4,6-dichloropyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonyl chloride is sourced from PubChem (CID 168712929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).