4-[(4-fluorophenyl)methylsulfonyl]-1-phenylpiperazin-2-one

C17H17FN2O3S — CID 110708459

IUPAC4-[(4-fluorophenyl)methylsulfonyl]-1-phenylpiperazin-2-one
SMILESO=C1CN(S(=O)(=O)Cc2ccc(F)cc2)CCN1c1ccccc1
InChIInChI=1S/C17H17FN2O3S/c18-15-8-6-14(7-9-15)13-24(22,23)19-10-11-20(17(21)12-19)16-4-2-1-3-5-16/h1-9H,10-13H2
InChIKeyAGYUCPUIKZCOEE-UHFFFAOYSA-N
MW348.40 g/mol
LogP2.00
Rot. Bonds4

About 4-[(4-fluorophenyl)methylsulfonyl]-1-phenylpiperazin-2-one

4-[(4-fluorophenyl)methylsulfonyl]-1-phenylpiperazin-2-one (PubChem CID 110708459) has the molecular formula C17H17FN2O3S and a molecular weight of 348.40 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methylsulfonyl]-1-phenylpiperazin-2-one.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methylsulfonyl]-1-phenylpiperazin-2-one
PubChem CID110708459
Molecular FormulaC17H17FN2O3S
Molecular Weight348.40 g/mol
Exact Mass348.09
IUPAC Name4-[(4-fluorophenyl)methylsulfonyl]-1-phenylpiperazin-2-one
SMILESO=C1CN(S(=O)(=O)Cc2ccc(F)cc2)CCN1c1ccccc1
InChIInChI=1S/C17H17FN2O3S/c18-15-8-6-14(7-9-15)13-24(22,23)19-10-11-20(17(21)12-19)16-4-2-1-3-5-16/h1-9H,10-13H2
InChIKeyAGYUCPUIKZCOEE-UHFFFAOYSA-N
XLogP2.00
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[(4-fluorophenyl)methylsulfonyl]-1-phenylpiperazin-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 4-[(4-fluorophenyl)methylsulfonyl]-1-phenylpiperazin-2-one?
The IUPAC name of 4-[(4-fluorophenyl)methylsulfonyl]-1-phenylpiperazin-2-one (CID 110708459) is 4-[(4-fluorophenyl)methylsulfonyl]-1-phenylpiperazin-2-one.
What is the SMILES notation for 4-[(4-fluorophenyl)methylsulfonyl]-1-phenylpiperazin-2-one?
The canonical SMILES for 4-[(4-fluorophenyl)methylsulfonyl]-1-phenylpiperazin-2-one is O=C1CN(S(=O)(=O)Cc2ccc(F)cc2)CCN1c1ccccc1.
What is the InChIKey of 4-[(4-fluorophenyl)methylsulfonyl]-1-phenylpiperazin-2-one?
The InChIKey is AGYUCPUIKZCOEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O3S/c18-15-8-6-14(7-9-15)13-24(22,23)19-10-11-20(17(21)12-19)16-4-2-1-3-5-16/h1-9H,10-13H2.
What are the key properties of 4-[(4-fluorophenyl)methylsulfonyl]-1-phenylpiperazin-2-one?
4-[(4-fluorophenyl)methylsulfonyl]-1-phenylpiperazin-2-one has a molecular weight of 348.40 g/mol, XLogP of 2.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)methylsulfonyl]-1-phenylpiperazin-2-one is sourced from PubChem (CID 110708459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).