4-(4-chloro-2-fluorophenyl)sulfonyl-3-methylpiperazine-2,6-dione

C11H10ClFN2O4S — CID 66063341

IUPAC4-(4-chloro-2-fluorophenyl)sulfonyl-3-methylpiperazine-2,6-dione
SMILESCC1C(=O)NC(=O)CN1S(=O)(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C11H10ClFN2O4S/c1-6-11(17)14-10(16)5-15(6)20(18,19)9-3-2-7(12)4-8(9)13/h2-4,6H,5H2,1H3,(H,14,16,17)
InChIKeyHNIMEDIFYARMLC-UHFFFAOYSA-N
MW320.73 g/mol
LogP0.51
Rot. Bonds2

About 4-(4-chloro-2-fluorophenyl)sulfonyl-3-methylpiperazine-2,6-dione

4-(4-chloro-2-fluorophenyl)sulfonyl-3-methylpiperazine-2,6-dione (PubChem CID 66063341) has the molecular formula C11H10ClFN2O4S and a molecular weight of 320.73 g/mol. Its IUPAC name is 4-(4-chloro-2-fluorophenyl)sulfonyl-3-methylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-(4-chloro-2-fluorophenyl)sulfonyl-3-methylpiperazine-2,6-dione
PubChem CID66063341
Molecular FormulaC11H10ClFN2O4S
Molecular Weight320.73 g/mol
Exact Mass320.00
IUPAC Name4-(4-chloro-2-fluorophenyl)sulfonyl-3-methylpiperazine-2,6-dione
SMILESCC1C(=O)NC(=O)CN1S(=O)(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C11H10ClFN2O4S/c1-6-11(17)14-10(16)5-15(6)20(18,19)9-3-2-7(12)4-8(9)13/h2-4,6H,5H2,1H3,(H,14,16,17)
InChIKeyHNIMEDIFYARMLC-UHFFFAOYSA-N
XLogP0.51
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.73
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 4-(4-chloro-2-fluorophenyl)sulfonyl-3-methylpiperazine-2,6-dione with MolForge

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

Launch Full Analysis

Related Compounds

4-chloro-2-(2-methyl-3,5-dioxopiperazin-1-yl)sulfonylbenzonitrile
CID 66061801
4-(3-amino-5-chloro-2-fluorophenyl)sulfonyl-3-methylpiperazine-2,6-dione
CID 103051721
4-(2-amino-4-fluorophenyl)sulfonyl-3-methylpiperazine-2,6-dione
CID 66061497
4-[(2-chloro-4-pyridinyl)sulfonyl]-3-methylpiperazine-2,6-dione
CID 66063132
4-(4-amino-3-chlorophenyl)sulfonyl-3-methylpiperazine-2,6-dione
CID 115330200
4-(3-bromo-4-chlorophenyl)sulfonyl-3-methylpiperazine-2,6-dione
CID 106606445
4-(benzenesulfonyl)-3-methylpiperazine-2,6-dione
CID 66062559
1-(4-chloro-2-fluorophenyl)sulfonyl-2-methylpiperazine
CID 62672963
(3S,4R)-1-(4-chloro-2-fluorophenyl)sulfonylpyrrolidine-3,4-diol
CID 79410117
4-[4-(2-aminoethyl)phenyl]sulfonyl-3-methylpiperazine-2,6-dione
CID 66075834
4-(4-bromo-3-methylphenyl)sulfonyl-3-methylpiperazine-2,6-dione
CID 66063719
4-(4-amino-3-bromophenyl)sulfonyl-3-methylpiperazine-2,6-dione
CID 66063444

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-fluorophenyl)sulfonyl-3-methylpiperazine-2,6-dione?
The IUPAC name of 4-(4-chloro-2-fluorophenyl)sulfonyl-3-methylpiperazine-2,6-dione (CID 66063341) is 4-(4-chloro-2-fluorophenyl)sulfonyl-3-methylpiperazine-2,6-dione.
What is the SMILES notation for 4-(4-chloro-2-fluorophenyl)sulfonyl-3-methylpiperazine-2,6-dione?
The canonical SMILES for 4-(4-chloro-2-fluorophenyl)sulfonyl-3-methylpiperazine-2,6-dione is CC1C(=O)NC(=O)CN1S(=O)(=O)c1ccc(Cl)cc1F.
What is the InChIKey of 4-(4-chloro-2-fluorophenyl)sulfonyl-3-methylpiperazine-2,6-dione?
The InChIKey is HNIMEDIFYARMLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN2O4S/c1-6-11(17)14-10(16)5-15(6)20(18,19)9-3-2-7(12)4-8(9)13/h2-4,6H,5H2,1H3,(H,14,16,17).
What are the key properties of 4-(4-chloro-2-fluorophenyl)sulfonyl-3-methylpiperazine-2,6-dione?
4-(4-chloro-2-fluorophenyl)sulfonyl-3-methylpiperazine-2,6-dione has a molecular weight of 320.73 g/mol, XLogP of 0.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2-fluorophenyl)sulfonyl-3-methylpiperazine-2,6-dione is sourced from PubChem (CID 66063341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).