1-[2-(2,4-dichlorophenoxy)ethyl]-4-(4-methylphenyl)sulfonylpiperazine

C19H22Cl2N2O3S — CID 17358154

IUPAC1-[2-(2,4-dichlorophenoxy)ethyl]-4-(4-methylphenyl)sulfonylpiperazine
SMILESCc1ccc(S(=O)(=O)N2CCN(CCOc3ccc(Cl)cc3Cl)CC2)cc1
InChIInChI=1S/C19H22Cl2N2O3S/c1-15-2-5-17(6-3-15)27(24,25)23-10-8-22(9-11-23)12-13-26-19-7-4-16(20)14-18(19)21/h2-7,14H,8-13H2,1H3
InChIKeyLEAKWTMOXBGGJE-UHFFFAOYSA-N
MW429.37 g/mol
LogP3.69
Rot. Bonds6

About 1-[2-(2,4-dichlorophenoxy)ethyl]-4-(4-methylphenyl)sulfonylpiperazine

1-[2-(2,4-dichlorophenoxy)ethyl]-4-(4-methylphenyl)sulfonylpiperazine (PubChem CID 17358154) has the molecular formula C19H22Cl2N2O3S and a molecular weight of 429.37 g/mol. Its IUPAC name is 1-[2-(2,4-dichlorophenoxy)ethyl]-4-(4-methylphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-[2-(2,4-dichlorophenoxy)ethyl]-4-(4-methylphenyl)sulfonylpiperazine
PubChem CID17358154
Molecular FormulaC19H22Cl2N2O3S
Molecular Weight429.37 g/mol
Exact Mass428.07
IUPAC Name1-[2-(2,4-dichlorophenoxy)ethyl]-4-(4-methylphenyl)sulfonylpiperazine
SMILESCc1ccc(S(=O)(=O)N2CCN(CCOc3ccc(Cl)cc3Cl)CC2)cc1
InChIInChI=1S/C19H22Cl2N2O3S/c1-15-2-5-17(6-3-15)27(24,25)23-10-8-22(9-11-23)12-13-26-19-7-4-16(20)14-18(19)21/h2-7,14H,8-13H2,1H3
InChIKeyLEAKWTMOXBGGJE-UHFFFAOYSA-N
XLogP3.69
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.37
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-[2-(2,5-dichlorophenoxy)ethyl]piperazin-1-yl]sulfonylbenzonitrile
CID 112797113
1-(3,4-dimethylphenyl)sulfonyl-4-[2-(4-methylphenoxy)ethyl]piperazine
CID 110409854
(3R,5R)-1-[2-(2,4-dichlorophenoxy)ethyl]-3,5-dimethylpiperidine
CID 893166
(3R,5S)-1-[2-(2,4-dichlorophenoxy)ethyl]-3,5-dimethylpiperidine
CID 893165
1-[2-[2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]ethoxy]phenyl]ethanone
CID 27125267
1-(3,4-dimethylphenyl)sulfonyl-4-[2-(2-methylphenoxy)ethyl]piperazine
CID 110638277
1-[2-(2-methylphenoxy)ethyl]-4-(3-methylphenyl)sulfonylpiperazine
CID 110638281
4-[4-[2-(2,5-dichlorophenoxy)ethyl]piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 112798679
1-(4-chloro-2-fluorophenyl)sulfonyl-4-(4-methylphenyl)sulfonylpiperazine
CID 55352164
1-(4-chlorophenyl)sulfonyl-4-(2-methylsulfonylethyl)piperazine
CID 167780338
1-(3-chlorophenyl)sulfonyl-4-(2-phenoxyethyl)piperazine
CID 8757842
1-(2,5-dimethoxyphenyl)sulfonyl-4-[2-(4-methylphenoxy)ethyl]piperazine
CID 8804090

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dichlorophenoxy)ethyl]-4-(4-methylphenyl)sulfonylpiperazine?
The IUPAC name of 1-[2-(2,4-dichlorophenoxy)ethyl]-4-(4-methylphenyl)sulfonylpiperazine (CID 17358154) is 1-[2-(2,4-dichlorophenoxy)ethyl]-4-(4-methylphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-[2-(2,4-dichlorophenoxy)ethyl]-4-(4-methylphenyl)sulfonylpiperazine?
The canonical SMILES for 1-[2-(2,4-dichlorophenoxy)ethyl]-4-(4-methylphenyl)sulfonylpiperazine is Cc1ccc(S(=O)(=O)N2CCN(CCOc3ccc(Cl)cc3Cl)CC2)cc1.
What is the InChIKey of 1-[2-(2,4-dichlorophenoxy)ethyl]-4-(4-methylphenyl)sulfonylpiperazine?
The InChIKey is LEAKWTMOXBGGJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Cl2N2O3S/c1-15-2-5-17(6-3-15)27(24,25)23-10-8-22(9-11-23)12-13-26-19-7-4-16(20)14-18(19)21/h2-7,14H,8-13H2,1H3.
What are the key properties of 1-[2-(2,4-dichlorophenoxy)ethyl]-4-(4-methylphenyl)sulfonylpiperazine?
1-[2-(2,4-dichlorophenoxy)ethyl]-4-(4-methylphenyl)sulfonylpiperazine has a molecular weight of 429.37 g/mol, XLogP of 3.69, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-dichlorophenoxy)ethyl]-4-(4-methylphenyl)sulfonylpiperazine is sourced from PubChem (CID 17358154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).