1-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]ethanone

C12H14Cl2N2O3S — CID 17441717

IUPAC1-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C12H14Cl2N2O3S/c1-9(17)15-2-4-16(5-3-15)20(18,19)12-7-10(13)6-11(14)8-12/h6-8H,2-5H2,1H3
InChIKeyHOSJJMCVBFEOJF-UHFFFAOYSA-N
MW337.23 g/mol
LogP1.85
Rot. Bonds2

About 1-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]ethanone

1-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]ethanone (PubChem CID 17441717) has the molecular formula C12H14Cl2N2O3S and a molecular weight of 337.23 g/mol. Its IUPAC name is 1-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]ethanone
PubChem CID17441717
Molecular FormulaC12H14Cl2N2O3S
Molecular Weight337.23 g/mol
Exact Mass336.01
IUPAC Name1-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C12H14Cl2N2O3S/c1-9(17)15-2-4-16(5-3-15)20(18,19)12-7-10(13)6-11(14)8-12/h6-8H,2-5H2,1H3
InChIKeyHOSJJMCVBFEOJF-UHFFFAOYSA-N
XLogP1.85
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.23
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]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 1-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]ethanone (CID 17441717) is 1-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]ethanone is CC(=O)N1CCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)CC1.
What is the InChIKey of 1-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]ethanone?
The InChIKey is HOSJJMCVBFEOJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2O3S/c1-9(17)15-2-4-16(5-3-15)20(18,19)12-7-10(13)6-11(14)8-12/h6-8H,2-5H2,1H3.
What are the key properties of 1-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]ethanone?
1-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]ethanone has a molecular weight of 337.23 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]ethanone is sourced from PubChem (CID 17441717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).