2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone

C18H25Cl2N3O3S — CID 27186773

IUPAC2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
SMILESCC1CCN(C(=O)CN2CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)CC1
InChIInChI=1S/C18H25Cl2N3O3S/c1-14-5-7-22(8-6-14)17(24)13-21-9-11-23(12-10-21)27(25,26)16-4-2-3-15(19)18(16)20/h2-4,14H,5-13H2,1H3
InChIKeyXSEBJSDHMMQMDN-UHFFFAOYSA-N
MW434.39 g/mol
LogP2.56
Rot. Bonds4

About 2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone

2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone (PubChem CID 27186773) has the molecular formula C18H25Cl2N3O3S and a molecular weight of 434.39 g/mol. Its IUPAC name is 2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
PubChem CID27186773
Molecular FormulaC18H25Cl2N3O3S
Molecular Weight434.39 g/mol
Exact Mass433.10
IUPAC Name2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
SMILESCC1CCN(C(=O)CN2CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)CC1
InChIInChI=1S/C18H25Cl2N3O3S/c1-14-5-7-22(8-6-14)17(24)13-21-9-11-23(12-10-21)27(25,26)16-4-2-3-15(19)18(16)20/h2-4,14H,5-13H2,1H3
InChIKeyXSEBJSDHMMQMDN-UHFFFAOYSA-N
XLogP2.56
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.39
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone (CID 27186773) is 2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone is CC1CCN(C(=O)CN2CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)CC1.
What is the InChIKey of 2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone?
The InChIKey is XSEBJSDHMMQMDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25Cl2N3O3S/c1-14-5-7-22(8-6-14)17(24)13-21-9-11-23(12-10-21)27(25,26)16-4-2-3-15(19)18(16)20/h2-4,14H,5-13H2,1H3.
What are the key properties of 2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone?
2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone has a molecular weight of 434.39 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 27186773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).