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

C20H22Cl2N2O4S — CID 20970600

IUPAC2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-1-(4-ethoxyphenyl)ethanone
SMILESCCOc1ccc(C(=O)CN2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)cc1
InChIInChI=1S/C20H22Cl2N2O4S/c1-2-28-17-6-3-15(4-7-17)19(25)14-23-9-11-24(12-10-23)29(26,27)20-13-16(21)5-8-18(20)22/h3-8,13H,2,9-12,14H2,1H3
InChIKeyGTDUUPQTICCUSE-UHFFFAOYSA-N
MW457.38 g/mol
LogP3.58
Rot. Bonds7

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

2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-1-(4-ethoxyphenyl)ethanone (PubChem CID 20970600) has the molecular formula C20H22Cl2N2O4S and a molecular weight of 457.38 g/mol. Its IUPAC name is 2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-1-(4-ethoxyphenyl)ethanone.

Molecular Properties

Compound Name2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-1-(4-ethoxyphenyl)ethanone
PubChem CID20970600
Molecular FormulaC20H22Cl2N2O4S
Molecular Weight457.38 g/mol
Exact Mass456.07
IUPAC Name2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-1-(4-ethoxyphenyl)ethanone
SMILESCCOc1ccc(C(=O)CN2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)cc1
InChIInChI=1S/C20H22Cl2N2O4S/c1-2-28-17-6-3-15(4-7-17)19(25)14-23-9-11-24(12-10-23)29(26,27)20-13-16(21)5-8-18(20)22/h3-8,13H,2,9-12,14H2,1H3
InChIKeyGTDUUPQTICCUSE-UHFFFAOYSA-N
XLogP3.58
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.38
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-1-(4-ethoxyphenyl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 4194583
1-(4-chlorophenyl)-3-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 2125400
2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-N,N-di(propan-2-yl)acetamide
CID 27182964
N-(2,6-dichlorophenyl)-2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 2685785
(3,4-dichlorophenyl)-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methanone
CID 26869029
2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-1-(1-ethyl-2-phenylindol-3-yl)ethanone
CID 4852617
2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 20970601
2-(2,4-dichlorophenyl)-1-(4-ethoxyphenyl)ethanone
CID 63411878
2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-ium-1-yl]-1-(4-fluorophenyl)ethanone
CID 5079371
1-(2,5-dichlorophenyl)sulfonyl-4-[(2,5-dimethoxyphenyl)methyl]piperazine
CID 6734604
2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-N-(2-ethyl-6-methylphenyl)acetamide
CID 2655938
2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-N-[4-(dimethylamino)phenyl]acetamide
CID 3236568

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-1-(4-ethoxyphenyl)ethanone?
The IUPAC name of 2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-1-(4-ethoxyphenyl)ethanone (CID 20970600) is 2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-1-(4-ethoxyphenyl)ethanone.
What is the SMILES notation for 2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-1-(4-ethoxyphenyl)ethanone?
The canonical SMILES for 2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-1-(4-ethoxyphenyl)ethanone is CCOc1ccc(C(=O)CN2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)cc1.
What is the InChIKey of 2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-1-(4-ethoxyphenyl)ethanone?
The InChIKey is GTDUUPQTICCUSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2N2O4S/c1-2-28-17-6-3-15(4-7-17)19(25)14-23-9-11-24(12-10-23)29(26,27)20-13-16(21)5-8-18(20)22/h3-8,13H,2,9-12,14H2,1H3.
What are the key properties of 2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-1-(4-ethoxyphenyl)ethanone?
2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-1-(4-ethoxyphenyl)ethanone has a molecular weight of 457.38 g/mol, XLogP of 3.58, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-1-(4-ethoxyphenyl)ethanone is sourced from PubChem (CID 20970600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).