4-[4-(3,5-dichlorophenyl)piperazin-1-yl]sulfonylcyclohexan-1-one

C16H20Cl2N2O3S — CID 166075193

IUPAC4-[4-(3,5-dichlorophenyl)piperazin-1-yl]sulfonylcyclohexan-1-one
SMILESO=C1CCC(S(=O)(=O)N2CCN(c3cc(Cl)cc(Cl)c3)CC2)CC1
InChIInChI=1S/C16H20Cl2N2O3S/c17-12-9-13(18)11-14(10-12)19-5-7-20(8-6-19)24(22,23)16-3-1-15(21)2-4-16/h9-11,16H,1-8H2
InChIKeyVSYOLUSJNWUDAS-UHFFFAOYSA-N
MW391.32 g/mol
LogP2.96
Rot. Bonds3

About 4-[4-(3,5-dichlorophenyl)piperazin-1-yl]sulfonylcyclohexan-1-one

4-[4-(3,5-dichlorophenyl)piperazin-1-yl]sulfonylcyclohexan-1-one (PubChem CID 166075193) has the molecular formula C16H20Cl2N2O3S and a molecular weight of 391.32 g/mol. Its IUPAC name is 4-[4-(3,5-dichlorophenyl)piperazin-1-yl]sulfonylcyclohexan-1-one.

Molecular Properties

Compound Name4-[4-(3,5-dichlorophenyl)piperazin-1-yl]sulfonylcyclohexan-1-one
PubChem CID166075193
Molecular FormulaC16H20Cl2N2O3S
Molecular Weight391.32 g/mol
Exact Mass390.06
IUPAC Name4-[4-(3,5-dichlorophenyl)piperazin-1-yl]sulfonylcyclohexan-1-one
SMILESO=C1CCC(S(=O)(=O)N2CCN(c3cc(Cl)cc(Cl)c3)CC2)CC1
InChIInChI=1S/C16H20Cl2N2O3S/c17-12-9-13(18)11-14(10-12)19-5-7-20(8-6-19)24(22,23)16-3-1-15(21)2-4-16/h9-11,16H,1-8H2
InChIKeyVSYOLUSJNWUDAS-UHFFFAOYSA-N
XLogP2.96
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.32
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(3,5-dichlorophenyl)piperazin-1-yl]sulfonylcyclohexan-1-one?
The IUPAC name of 4-[4-(3,5-dichlorophenyl)piperazin-1-yl]sulfonylcyclohexan-1-one (CID 166075193) is 4-[4-(3,5-dichlorophenyl)piperazin-1-yl]sulfonylcyclohexan-1-one.
What is the SMILES notation for 4-[4-(3,5-dichlorophenyl)piperazin-1-yl]sulfonylcyclohexan-1-one?
The canonical SMILES for 4-[4-(3,5-dichlorophenyl)piperazin-1-yl]sulfonylcyclohexan-1-one is O=C1CCC(S(=O)(=O)N2CCN(c3cc(Cl)cc(Cl)c3)CC2)CC1.
What is the InChIKey of 4-[4-(3,5-dichlorophenyl)piperazin-1-yl]sulfonylcyclohexan-1-one?
The InChIKey is VSYOLUSJNWUDAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Cl2N2O3S/c17-12-9-13(18)11-14(10-12)19-5-7-20(8-6-19)24(22,23)16-3-1-15(21)2-4-16/h9-11,16H,1-8H2.
What are the key properties of 4-[4-(3,5-dichlorophenyl)piperazin-1-yl]sulfonylcyclohexan-1-one?
4-[4-(3,5-dichlorophenyl)piperazin-1-yl]sulfonylcyclohexan-1-one has a molecular weight of 391.32 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3,5-dichlorophenyl)piperazin-1-yl]sulfonylcyclohexan-1-one is sourced from PubChem (CID 166075193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).