2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-1-(4-fluorophenyl)ethanone

C18H18ClFN2O3S — CID 20970547

IUPAC2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-1-(4-fluorophenyl)ethanone
SMILESO=C(CN1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C18H18ClFN2O3S/c19-15-3-7-17(8-4-15)26(24,25)22-11-9-21(10-12-22)13-18(23)14-1-5-16(20)6-2-14/h1-8H,9-13H2
InChIKeyDSYATSOIBQINMX-UHFFFAOYSA-N
MW396.87 g/mol
LogP2.67
Rot. Bonds5

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

2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-1-(4-fluorophenyl)ethanone (PubChem CID 20970547) has the molecular formula C18H18ClFN2O3S and a molecular weight of 396.87 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-1-(4-fluorophenyl)ethanone.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-1-(4-fluorophenyl)ethanone
PubChem CID20970547
Molecular FormulaC18H18ClFN2O3S
Molecular Weight396.87 g/mol
Exact Mass396.07
IUPAC Name2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-1-(4-fluorophenyl)ethanone
SMILESO=C(CN1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C18H18ClFN2O3S/c19-15-3-7-17(8-4-15)26(24,25)22-11-9-21(10-12-22)13-18(23)14-1-5-16(20)6-2-14/h1-8H,9-13H2
InChIKeyDSYATSOIBQINMX-UHFFFAOYSA-N
XLogP2.67
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.87
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-1-(4-fluorophenyl)ethanone 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-chlorophenyl)sulfonylpiperazin-1-yl]-1-(4-fluorophenyl)ethanone?
The IUPAC name of 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-1-(4-fluorophenyl)ethanone (CID 20970547) is 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-1-(4-fluorophenyl)ethanone.
What is the SMILES notation for 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-1-(4-fluorophenyl)ethanone?
The canonical SMILES for 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-1-(4-fluorophenyl)ethanone is O=C(CN1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)c1ccc(F)cc1.
What is the InChIKey of 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-1-(4-fluorophenyl)ethanone?
The InChIKey is DSYATSOIBQINMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFN2O3S/c19-15-3-7-17(8-4-15)26(24,25)22-11-9-21(10-12-22)13-18(23)14-1-5-16(20)6-2-14/h1-8H,9-13H2.
What are the key properties of 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-1-(4-fluorophenyl)ethanone?
2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-1-(4-fluorophenyl)ethanone has a molecular weight of 396.87 g/mol, XLogP of 2.67, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-1-(4-fluorophenyl)ethanone is sourced from PubChem (CID 20970547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).