1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-phenylsulfanylethanone

C18H19FN2O3S2 — CID 4807280

IUPAC1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-phenylsulfanylethanone
SMILESO=C(CSc1ccccc1)N1CCN(S(=O)(=O)c2ccccc2F)CC1
InChIInChI=1S/C18H19FN2O3S2/c19-16-8-4-5-9-17(16)26(23,24)21-12-10-20(11-13-21)18(22)14-25-15-6-2-1-3-7-15/h1-9H,10-14H2
InChIKeyFGFAMDYOWOQNRY-UHFFFAOYSA-N
MW394.49 g/mol
LogP2.45
Rot. Bonds5

About 1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-phenylsulfanylethanone

1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-phenylsulfanylethanone (PubChem CID 4807280) has the molecular formula C18H19FN2O3S2 and a molecular weight of 394.49 g/mol. Its IUPAC name is 1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-phenylsulfanylethanone.

Molecular Properties

Compound Name1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-phenylsulfanylethanone
PubChem CID4807280
Molecular FormulaC18H19FN2O3S2
Molecular Weight394.49 g/mol
Exact Mass394.08
IUPAC Name1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-phenylsulfanylethanone
SMILESO=C(CSc1ccccc1)N1CCN(S(=O)(=O)c2ccccc2F)CC1
InChIInChI=1S/C18H19FN2O3S2/c19-16-8-4-5-9-17(16)26(23,24)21-12-10-20(11-13-21)18(22)14-25-15-6-2-1-3-7-15/h1-9H,10-14H2
InChIKeyFGFAMDYOWOQNRY-UHFFFAOYSA-N
XLogP2.45
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.49
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-phenylsulfanylethanone 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-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-phenylsulfanylethanone?
The IUPAC name of 1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-phenylsulfanylethanone (CID 4807280) is 1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-phenylsulfanylethanone.
What is the SMILES notation for 1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-phenylsulfanylethanone?
The canonical SMILES for 1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-phenylsulfanylethanone is O=C(CSc1ccccc1)N1CCN(S(=O)(=O)c2ccccc2F)CC1.
What is the InChIKey of 1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-phenylsulfanylethanone?
The InChIKey is FGFAMDYOWOQNRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O3S2/c19-16-8-4-5-9-17(16)26(23,24)21-12-10-20(11-13-21)18(22)14-25-15-6-2-1-3-7-15/h1-9H,10-14H2.
What are the key properties of 1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-phenylsulfanylethanone?
1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-phenylsulfanylethanone has a molecular weight of 394.49 g/mol, XLogP of 2.45, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-phenylsulfanylethanone is sourced from PubChem (CID 4807280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).