2-[4-(4-fluorophenyl)sulfonylpiperazine-1-carbonyl]-5-methoxy-1H-pyridin-4-one

C17H18FN3O5S — CID 121238860

IUPAC2-[4-(4-fluorophenyl)sulfonylpiperazine-1-carbonyl]-5-methoxy-1H-pyridin-4-one
SMILESCOc1c[nH]c(C(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1=O
InChIInChI=1S/C17H18FN3O5S/c1-26-16-11-19-14(10-15(16)22)17(23)20-6-8-21(9-7-20)27(24,25)13-4-2-12(18)3-5-13/h2-5,10-11H,6-9H2,1H3,(H,19,22)
InChIKeyODIHDQXQVFMCIQ-UHFFFAOYSA-N
MW395.41 g/mol
LogP0.67
Rot. Bonds4

About 2-[4-(4-fluorophenyl)sulfonylpiperazine-1-carbonyl]-5-methoxy-1H-pyridin-4-one

2-[4-(4-fluorophenyl)sulfonylpiperazine-1-carbonyl]-5-methoxy-1H-pyridin-4-one (PubChem CID 121238860) has the molecular formula C17H18FN3O5S and a molecular weight of 395.41 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)sulfonylpiperazine-1-carbonyl]-5-methoxy-1H-pyridin-4-one.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)sulfonylpiperazine-1-carbonyl]-5-methoxy-1H-pyridin-4-one
PubChem CID121238860
Molecular FormulaC17H18FN3O5S
Molecular Weight395.41 g/mol
Exact Mass395.10
IUPAC Name2-[4-(4-fluorophenyl)sulfonylpiperazine-1-carbonyl]-5-methoxy-1H-pyridin-4-one
SMILESCOc1c[nH]c(C(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1=O
InChIInChI=1S/C17H18FN3O5S/c1-26-16-11-19-14(10-15(16)22)17(23)20-6-8-21(9-7-20)27(24,25)13-4-2-12(18)3-5-13/h2-5,10-11H,6-9H2,1H3,(H,19,22)
InChIKeyODIHDQXQVFMCIQ-UHFFFAOYSA-N
XLogP0.67
TPSA99.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.41
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-(4-fluorophenyl)sulfonylpiperazine-1-carbonyl]-5-methoxy-1H-pyridin-4-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-[4-(4-fluorophenyl)sulfonylpiperazine-1-carbonyl]-5-methoxy-1H-pyridin-4-one?
The IUPAC name of 2-[4-(4-fluorophenyl)sulfonylpiperazine-1-carbonyl]-5-methoxy-1H-pyridin-4-one (CID 121238860) is 2-[4-(4-fluorophenyl)sulfonylpiperazine-1-carbonyl]-5-methoxy-1H-pyridin-4-one.
What is the SMILES notation for 2-[4-(4-fluorophenyl)sulfonylpiperazine-1-carbonyl]-5-methoxy-1H-pyridin-4-one?
The canonical SMILES for 2-[4-(4-fluorophenyl)sulfonylpiperazine-1-carbonyl]-5-methoxy-1H-pyridin-4-one is COc1c[nH]c(C(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1=O.
What is the InChIKey of 2-[4-(4-fluorophenyl)sulfonylpiperazine-1-carbonyl]-5-methoxy-1H-pyridin-4-one?
The InChIKey is ODIHDQXQVFMCIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O5S/c1-26-16-11-19-14(10-15(16)22)17(23)20-6-8-21(9-7-20)27(24,25)13-4-2-12(18)3-5-13/h2-5,10-11H,6-9H2,1H3,(H,19,22).
What are the key properties of 2-[4-(4-fluorophenyl)sulfonylpiperazine-1-carbonyl]-5-methoxy-1H-pyridin-4-one?
2-[4-(4-fluorophenyl)sulfonylpiperazine-1-carbonyl]-5-methoxy-1H-pyridin-4-one has a molecular weight of 395.41 g/mol, XLogP of 0.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)sulfonylpiperazine-1-carbonyl]-5-methoxy-1H-pyridin-4-one is sourced from PubChem (CID 121238860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).