1-(3,6-dichloropyridazin-4-yl)-5-oxopyrrolidine-3-sulfonyl fluoride

C8H6Cl2FN3O3S — CID 168715959

IUPAC1-(3,6-dichloropyridazin-4-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESO=C1CC(S(=O)(=O)F)CN1c1cc(Cl)nnc1Cl
InChIInChI=1S/C8H6Cl2FN3O3S/c9-6-2-5(8(10)13-12-6)14-3-4(1-7(14)15)18(11,16)17/h2,4H,1,3H2
InChIKeyIJPULVUSKXHOFW-UHFFFAOYSA-N
MW314.13 g/mol
LogP1.19
Rot. Bonds2

About 1-(3,6-dichloropyridazin-4-yl)-5-oxopyrrolidine-3-sulfonyl fluoride

1-(3,6-dichloropyridazin-4-yl)-5-oxopyrrolidine-3-sulfonyl fluoride (PubChem CID 168715959) has the molecular formula C8H6Cl2FN3O3S and a molecular weight of 314.13 g/mol. Its IUPAC name is 1-(3,6-dichloropyridazin-4-yl)-5-oxopyrrolidine-3-sulfonyl fluoride.

Molecular Properties

Compound Name1-(3,6-dichloropyridazin-4-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
PubChem CID168715959
Molecular FormulaC8H6Cl2FN3O3S
Molecular Weight314.13 g/mol
Exact Mass312.95
IUPAC Name1-(3,6-dichloropyridazin-4-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESO=C1CC(S(=O)(=O)F)CN1c1cc(Cl)nnc1Cl
InChIInChI=1S/C8H6Cl2FN3O3S/c9-6-2-5(8(10)13-12-6)14-3-4(1-7(14)15)18(11,16)17/h2,4H,1,3H2
InChIKeyIJPULVUSKXHOFW-UHFFFAOYSA-N
XLogP1.19
TPSA80.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.13
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3,6-dichloropyridazin-4-yl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The IUPAC name of 1-(3,6-dichloropyridazin-4-yl)-5-oxopyrrolidine-3-sulfonyl fluoride (CID 168715959) is 1-(3,6-dichloropyridazin-4-yl)-5-oxopyrrolidine-3-sulfonyl fluoride.
What is the SMILES notation for 1-(3,6-dichloropyridazin-4-yl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The canonical SMILES for 1-(3,6-dichloropyridazin-4-yl)-5-oxopyrrolidine-3-sulfonyl fluoride is O=C1CC(S(=O)(=O)F)CN1c1cc(Cl)nnc1Cl.
What is the InChIKey of 1-(3,6-dichloropyridazin-4-yl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The InChIKey is IJPULVUSKXHOFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl2FN3O3S/c9-6-2-5(8(10)13-12-6)14-3-4(1-7(14)15)18(11,16)17/h2,4H,1,3H2.
What are the key properties of 1-(3,6-dichloropyridazin-4-yl)-5-oxopyrrolidine-3-sulfonyl fluoride?
1-(3,6-dichloropyridazin-4-yl)-5-oxopyrrolidine-3-sulfonyl fluoride has a molecular weight of 314.13 g/mol, XLogP of 1.19, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,6-dichloropyridazin-4-yl)-5-oxopyrrolidine-3-sulfonyl fluoride is sourced from PubChem (CID 168715959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).