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

C8H5BrCl3N3O3S — CID 168712655

IUPAC1-(5-bromo-4,6-dichloropyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonyl chloride
SMILESO=C1CC(S(=O)(=O)Cl)CN1c1nc(Cl)c(Br)c(Cl)n1
InChIInChI=1S/C8H5BrCl3N3O3S/c9-5-6(10)13-8(14-7(5)11)15-2-3(1-4(15)16)19(12,17)18/h3H,1-2H2
InChIKeyIOEONZLREHVNMR-UHFFFAOYSA-N
MW409.48 g/mol
LogP2.22
Rot. Bonds2

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

1-(5-bromo-4,6-dichloropyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonyl chloride (PubChem CID 168712655) has the molecular formula C8H5BrCl3N3O3S and a molecular weight of 409.48 g/mol. Its IUPAC name is 1-(5-bromo-4,6-dichloropyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonyl chloride.

Molecular Properties

Compound Name1-(5-bromo-4,6-dichloropyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonyl chloride
PubChem CID168712655
Molecular FormulaC8H5BrCl3N3O3S
Molecular Weight409.48 g/mol
Exact Mass406.83
IUPAC Name1-(5-bromo-4,6-dichloropyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonyl chloride
SMILESO=C1CC(S(=O)(=O)Cl)CN1c1nc(Cl)c(Br)c(Cl)n1
InChIInChI=1S/C8H5BrCl3N3O3S/c9-5-6(10)13-8(14-7(5)11)15-2-3(1-4(15)16)19(12,17)18/h3H,1-2H2
InChIKeyIOEONZLREHVNMR-UHFFFAOYSA-N
XLogP2.22
TPSA80.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.48
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4,6-dichloropyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712929
1-(5-bromo-4,6-dichloropyrimidin-2-yl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168671847
1-(6-bromo-2-chloro-3-pyridinyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712539
5-oxo-1-pyrimidin-2-ylpyrrolidine-3-sulfonyl chloride
CID 168712980
1-(5-bromo-4-methylpyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711777
1-(3-bromo-5-chlorophenyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712735
1-(4,6-dichloropyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonamide
CID 168719537
1-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonamide
CID 168719556
1-(5-bromo-6-methyl-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711783
1-(2-chloro-3-pyridinyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712878
1-(2,5-dichloropyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712631
1-(2-chloro-6-methyl-4-pyridinyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711863

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-4,6-dichloropyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonyl chloride?
The IUPAC name of 1-(5-bromo-4,6-dichloropyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonyl chloride (CID 168712655) is 1-(5-bromo-4,6-dichloropyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonyl chloride.
What is the SMILES notation for 1-(5-bromo-4,6-dichloropyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonyl chloride?
The canonical SMILES for 1-(5-bromo-4,6-dichloropyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonyl chloride is O=C1CC(S(=O)(=O)Cl)CN1c1nc(Cl)c(Br)c(Cl)n1.
What is the InChIKey of 1-(5-bromo-4,6-dichloropyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonyl chloride?
The InChIKey is IOEONZLREHVNMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrCl3N3O3S/c9-5-6(10)13-8(14-7(5)11)15-2-3(1-4(15)16)19(12,17)18/h3H,1-2H2.
What are the key properties of 1-(5-bromo-4,6-dichloropyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonyl chloride?
1-(5-bromo-4,6-dichloropyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonyl chloride has a molecular weight of 409.48 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-4,6-dichloropyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonyl chloride is sourced from PubChem (CID 168712655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).