2-(2,6-dichlorophenyl)-1-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]ethanone

C18H16Cl4N2O3S — CID 24944563

IUPAC2-(2,6-dichlorophenyl)-1-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]ethanone
SMILESO=C(Cc1c(Cl)cccc1Cl)N1CCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C18H16Cl4N2O3S/c19-12-8-13(20)10-14(9-12)28(26,27)24-6-4-23(5-7-24)18(25)11-15-16(21)2-1-3-17(15)22/h1-3,8-10H,4-7,11H2
InChIKeyNVPFGWFUBXYTLY-UHFFFAOYSA-N
MW482.22 g/mol
LogP4.38
Rot. Bonds4

About 2-(2,6-dichlorophenyl)-1-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]ethanone

2-(2,6-dichlorophenyl)-1-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]ethanone (PubChem CID 24944563) has the molecular formula C18H16Cl4N2O3S and a molecular weight of 482.22 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-1-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-1-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]ethanone
PubChem CID24944563
Molecular FormulaC18H16Cl4N2O3S
Molecular Weight482.22 g/mol
Exact Mass479.96
IUPAC Name2-(2,6-dichlorophenyl)-1-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]ethanone
SMILESO=C(Cc1c(Cl)cccc1Cl)N1CCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C18H16Cl4N2O3S/c19-12-8-13(20)10-14(9-12)28(26,27)24-6-4-23(5-7-24)18(25)11-15-16(21)2-1-3-17(15)22/h1-3,8-10H,4-7,11H2
InChIKeyNVPFGWFUBXYTLY-UHFFFAOYSA-N
XLogP4.38
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.22
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate
CID 2605958
2-(2-chloro-6-fluorophenyl)-1-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)ethanone
CID 37416921
1-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-2-(2-fluorophenyl)ethanone
CID 26204806
1-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-3-pyrrolidin-1-ylpropan-1-one
CID 110422603
2-(2-chloro-6-fluorophenyl)-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethanone
CID 2565147
1-[4-(3-chlorophenyl)sulfonyl-1,4-diazepan-1-yl]propan-1-one
CID 110796550
1-[4-(3,5-dichlorophenyl)sulfonyl-1,4-diazepan-1-yl]ethanone
CID 3752352
4-chloro-1-(3,5-dichlorophenyl)sulfonylpiperidine
CID 63396330
1-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-3-(furan-2-yl)propan-1-one
CID 17459924
2-(2,4-dichlorophenyl)-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 22831097
1-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-2-propylsulfanylethanone
CID 55822268
1-[2-(2,6-dichlorophenyl)acetyl]piperidine-4-carboxylic acid
CID 17494701

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)-1-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]ethanone?
The IUPAC name of 2-(2,6-dichlorophenyl)-1-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]ethanone (CID 24944563) is 2-(2,6-dichlorophenyl)-1-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]ethanone.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-1-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]ethanone?
The canonical SMILES for 2-(2,6-dichlorophenyl)-1-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]ethanone is O=C(Cc1c(Cl)cccc1Cl)N1CCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)CC1.
What is the InChIKey of 2-(2,6-dichlorophenyl)-1-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]ethanone?
The InChIKey is NVPFGWFUBXYTLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl4N2O3S/c19-12-8-13(20)10-14(9-12)28(26,27)24-6-4-23(5-7-24)18(25)11-15-16(21)2-1-3-17(15)22/h1-3,8-10H,4-7,11H2.
What are the key properties of 2-(2,6-dichlorophenyl)-1-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]ethanone?
2-(2,6-dichlorophenyl)-1-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]ethanone has a molecular weight of 482.22 g/mol, XLogP of 4.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)-1-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]ethanone is sourced from PubChem (CID 24944563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).