1-[2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]pyridin-2-one

C17H17ClFN3O4S — CID 9166030

IUPAC1-[2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]pyridin-2-one
SMILESO=C(Cn1ccccc1=O)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1
InChIInChI=1S/C17H17ClFN3O4S/c18-14-11-13(4-5-15(14)19)27(25,26)22-9-7-20(8-10-22)17(24)12-21-6-2-1-3-16(21)23/h1-6,11H,7-10,12H2
InChIKeyGWPGJTFCAXGZDQ-UHFFFAOYSA-N
MW413.86 g/mol
LogP1.17
Rot. Bonds4

About 1-[2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]pyridin-2-one

1-[2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]pyridin-2-one (PubChem CID 9166030) has the molecular formula C17H17ClFN3O4S and a molecular weight of 413.86 g/mol. Its IUPAC name is 1-[2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]pyridin-2-one
PubChem CID9166030
Molecular FormulaC17H17ClFN3O4S
Molecular Weight413.86 g/mol
Exact Mass413.06
IUPAC Name1-[2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]pyridin-2-one
SMILESO=C(Cn1ccccc1=O)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1
InChIInChI=1S/C17H17ClFN3O4S/c18-14-11-13(4-5-15(14)19)27(25,26)22-9-7-20(8-10-22)17(24)12-21-6-2-1-3-16(21)23/h1-6,11H,7-10,12H2
InChIKeyGWPGJTFCAXGZDQ-UHFFFAOYSA-N
XLogP1.17
TPSA79.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.86
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]pyridin-2-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 1-[2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]pyridin-2-one?
The IUPAC name of 1-[2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]pyridin-2-one (CID 9166030) is 1-[2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]pyridin-2-one?
The canonical SMILES for 1-[2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]pyridin-2-one is O=C(Cn1ccccc1=O)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1.
What is the InChIKey of 1-[2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]pyridin-2-one?
The InChIKey is GWPGJTFCAXGZDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFN3O4S/c18-14-11-13(4-5-15(14)19)27(25,26)22-9-7-20(8-10-22)17(24)12-21-6-2-1-3-16(21)23/h1-6,11H,7-10,12H2.
What are the key properties of 1-[2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]pyridin-2-one?
1-[2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]pyridin-2-one has a molecular weight of 413.86 g/mol, XLogP of 1.17, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]pyridin-2-one is sourced from PubChem (CID 9166030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).