1-(2,5-dichloro-4-methoxyphenyl)sulfonyl-4-(4-ethylphenyl)piperazine

C19H22Cl2N2O3S — CID 2208743

IUPAC1-(2,5-dichloro-4-methoxyphenyl)sulfonyl-4-(4-ethylphenyl)piperazine
SMILESCCc1ccc(N2CCN(S(=O)(=O)c3cc(Cl)c(OC)cc3Cl)CC2)cc1
InChIInChI=1S/C19H22Cl2N2O3S/c1-3-14-4-6-15(7-5-14)22-8-10-23(11-9-22)27(24,25)19-13-16(20)18(26-2)12-17(19)21/h4-7,12-13H,3,8-11H2,1-2H3
InChIKeyDLLZEEQRYHEGIJ-UHFFFAOYSA-N
MW429.37 g/mol
LogP4.08
Rot. Bonds5

About 1-(2,5-dichloro-4-methoxyphenyl)sulfonyl-4-(4-ethylphenyl)piperazine

1-(2,5-dichloro-4-methoxyphenyl)sulfonyl-4-(4-ethylphenyl)piperazine (PubChem CID 2208743) has the molecular formula C19H22Cl2N2O3S and a molecular weight of 429.37 g/mol. Its IUPAC name is 1-(2,5-dichloro-4-methoxyphenyl)sulfonyl-4-(4-ethylphenyl)piperazine.

Molecular Properties

Compound Name1-(2,5-dichloro-4-methoxyphenyl)sulfonyl-4-(4-ethylphenyl)piperazine
PubChem CID2208743
Molecular FormulaC19H22Cl2N2O3S
Molecular Weight429.37 g/mol
Exact Mass428.07
IUPAC Name1-(2,5-dichloro-4-methoxyphenyl)sulfonyl-4-(4-ethylphenyl)piperazine
SMILESCCc1ccc(N2CCN(S(=O)(=O)c3cc(Cl)c(OC)cc3Cl)CC2)cc1
InChIInChI=1S/C19H22Cl2N2O3S/c1-3-14-4-6-15(7-5-14)22-8-10-23(11-9-22)27(24,25)19-13-16(20)18(26-2)12-17(19)21/h4-7,12-13H,3,8-11H2,1-2H3
InChIKeyDLLZEEQRYHEGIJ-UHFFFAOYSA-N
XLogP4.08
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.37
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-(3-chloro-4-methoxyphenyl)-4-(4-ethylphenyl)sulfonylpiperazine
CID 113077144
1-(4-ethylphenyl)-4-(2-methoxy-5-methylphenyl)sulfonylpiperazine
CID 34117918
1-(4-chloro-2,5-dimethoxyphenyl)sulfonyl-4-(3,4-dichlorophenyl)piperazine
CID 1303338
1-(4-chloro-2,5-dimethoxyphenyl)sulfonyl-4-(3-chloro-4-methylphenyl)piperazine
CID 16644819
1-(2,5-dichloro-4-methoxyphenyl)sulfonyl-4-(2,4,6-trimethylphenyl)piperazine
CID 1295231
1-(4-ethylphenyl)-4-(4-ethylphenyl)sulfonylpiperazine
CID 113075945
1-(3,4-dimethylphenyl)sulfonyl-4-(4-ethylphenyl)piperazine
CID 113075942
1-(3,4-dimethoxyphenyl)-4-(4-ethylphenyl)piperazine
CID 59545760
1-(5-chlorothiophen-2-yl)sulfonyl-4-(4-ethylphenyl)piperazine
CID 113075957
1-(3-chloro-2-methylphenyl)-4-(5-ethyl-2-methoxyphenyl)sulfonylpiperazine
CID 91669996
1-(5-chloro-2-methoxyphenyl)sulfonyl-4-(4-nitrophenyl)piperazine
CID 6737155
1-(5-ethyl-2-methoxyphenyl)sulfonylpyrrolidine
CID 6457843

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichloro-4-methoxyphenyl)sulfonyl-4-(4-ethylphenyl)piperazine?
The IUPAC name of 1-(2,5-dichloro-4-methoxyphenyl)sulfonyl-4-(4-ethylphenyl)piperazine (CID 2208743) is 1-(2,5-dichloro-4-methoxyphenyl)sulfonyl-4-(4-ethylphenyl)piperazine.
What is the SMILES notation for 1-(2,5-dichloro-4-methoxyphenyl)sulfonyl-4-(4-ethylphenyl)piperazine?
The canonical SMILES for 1-(2,5-dichloro-4-methoxyphenyl)sulfonyl-4-(4-ethylphenyl)piperazine is CCc1ccc(N2CCN(S(=O)(=O)c3cc(Cl)c(OC)cc3Cl)CC2)cc1.
What is the InChIKey of 1-(2,5-dichloro-4-methoxyphenyl)sulfonyl-4-(4-ethylphenyl)piperazine?
The InChIKey is DLLZEEQRYHEGIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Cl2N2O3S/c1-3-14-4-6-15(7-5-14)22-8-10-23(11-9-22)27(24,25)19-13-16(20)18(26-2)12-17(19)21/h4-7,12-13H,3,8-11H2,1-2H3.
What are the key properties of 1-(2,5-dichloro-4-methoxyphenyl)sulfonyl-4-(4-ethylphenyl)piperazine?
1-(2,5-dichloro-4-methoxyphenyl)sulfonyl-4-(4-ethylphenyl)piperazine has a molecular weight of 429.37 g/mol, XLogP of 4.08, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichloro-4-methoxyphenyl)sulfonyl-4-(4-ethylphenyl)piperazine is sourced from PubChem (CID 2208743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).