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

C8H7ClFN3O3S — CID 168715958

IUPAC1-(6-chloropyridazin-4-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESO=C1CC(S(=O)(=O)F)CN1c1cnnc(Cl)c1
InChIInChI=1S/C8H7ClFN3O3S/c9-7-1-5(3-11-12-7)13-4-6(2-8(13)14)17(10,15)16/h1,3,6H,2,4H2
InChIKeyKELNJJSDMZNXKG-UHFFFAOYSA-N
MW279.68 g/mol
LogP0.53
Rot. Bonds2

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

1-(6-chloropyridazin-4-yl)-5-oxopyrrolidine-3-sulfonyl fluoride (PubChem CID 168715958) has the molecular formula C8H7ClFN3O3S and a molecular weight of 279.68 g/mol. Its IUPAC name is 1-(6-chloropyridazin-4-yl)-5-oxopyrrolidine-3-sulfonyl fluoride.

Molecular Properties

Compound Name1-(6-chloropyridazin-4-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
PubChem CID168715958
Molecular FormulaC8H7ClFN3O3S
Molecular Weight279.68 g/mol
Exact Mass278.99
IUPAC Name1-(6-chloropyridazin-4-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESO=C1CC(S(=O)(=O)F)CN1c1cnnc(Cl)c1
InChIInChI=1S/C8H7ClFN3O3S/c9-7-1-5(3-11-12-7)13-4-6(2-8(13)14)17(10,15)16/h1,3,6H,2,4H2
InChIKeyKELNJJSDMZNXKG-UHFFFAOYSA-N
XLogP0.53
TPSA80.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.68
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(6-chloropyridazin-4-yl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The IUPAC name of 1-(6-chloropyridazin-4-yl)-5-oxopyrrolidine-3-sulfonyl fluoride (CID 168715958) is 1-(6-chloropyridazin-4-yl)-5-oxopyrrolidine-3-sulfonyl fluoride.
What is the SMILES notation for 1-(6-chloropyridazin-4-yl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The canonical SMILES for 1-(6-chloropyridazin-4-yl)-5-oxopyrrolidine-3-sulfonyl fluoride is O=C1CC(S(=O)(=O)F)CN1c1cnnc(Cl)c1.
What is the InChIKey of 1-(6-chloropyridazin-4-yl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The InChIKey is KELNJJSDMZNXKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClFN3O3S/c9-7-1-5(3-11-12-7)13-4-6(2-8(13)14)17(10,15)16/h1,3,6H,2,4H2.
What are the key properties of 1-(6-chloropyridazin-4-yl)-5-oxopyrrolidine-3-sulfonyl fluoride?
1-(6-chloropyridazin-4-yl)-5-oxopyrrolidine-3-sulfonyl fluoride has a molecular weight of 279.68 g/mol, XLogP of 0.53, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloropyridazin-4-yl)-5-oxopyrrolidine-3-sulfonyl fluoride is sourced from PubChem (CID 168715958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).