2-[2-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]-2-oxoethyl]pyridazin-3-one

C15H14FN3O4S — CID 71809257

IUPAC2-[2-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]-2-oxoethyl]pyridazin-3-one
SMILESO=C(Cn1ncccc1=O)N1CC(S(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C15H14FN3O4S/c16-11-3-5-12(6-4-11)24(22,23)13-8-18(9-13)15(21)10-19-14(20)2-1-7-17-19/h1-7,13H,8-10H2
InChIKeyRYKDFHGPZUKSJC-UHFFFAOYSA-N
MW351.36 g/mol
LogP0.07
Rot. Bonds4

About 2-[2-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]-2-oxoethyl]pyridazin-3-one

2-[2-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]-2-oxoethyl]pyridazin-3-one (PubChem CID 71809257) has the molecular formula C15H14FN3O4S and a molecular weight of 351.36 g/mol. Its IUPAC name is 2-[2-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]-2-oxoethyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[2-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]-2-oxoethyl]pyridazin-3-one
PubChem CID71809257
Molecular FormulaC15H14FN3O4S
Molecular Weight351.36 g/mol
Exact Mass351.07
IUPAC Name2-[2-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]-2-oxoethyl]pyridazin-3-one
SMILESO=C(Cn1ncccc1=O)N1CC(S(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C15H14FN3O4S/c16-11-3-5-12(6-4-11)24(22,23)13-8-18(9-13)15(21)10-19-14(20)2-1-7-17-19/h1-7,13H,8-10H2
InChIKeyRYKDFHGPZUKSJC-UHFFFAOYSA-N
XLogP0.07
TPSA89.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 50.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[2-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]-2-oxoethyl]pyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]-2-oxoethyl]pyridazin-3-one?
The IUPAC name of 2-[2-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]-2-oxoethyl]pyridazin-3-one (CID 71809257) is 2-[2-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]-2-oxoethyl]pyridazin-3-one.
What is the SMILES notation for 2-[2-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]-2-oxoethyl]pyridazin-3-one?
The canonical SMILES for 2-[2-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]-2-oxoethyl]pyridazin-3-one is O=C(Cn1ncccc1=O)N1CC(S(=O)(=O)c2ccc(F)cc2)C1.
What is the InChIKey of 2-[2-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]-2-oxoethyl]pyridazin-3-one?
The InChIKey is RYKDFHGPZUKSJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O4S/c16-11-3-5-12(6-4-11)24(22,23)13-8-18(9-13)15(21)10-19-14(20)2-1-7-17-19/h1-7,13H,8-10H2.
What are the key properties of 2-[2-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]-2-oxoethyl]pyridazin-3-one?
2-[2-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]-2-oxoethyl]pyridazin-3-one has a molecular weight of 351.36 g/mol, XLogP of 0.07, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]-2-oxoethyl]pyridazin-3-one is sourced from PubChem (CID 71809257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).