1-(3-chloro-4-methoxyphenyl)-4-(4-ethylphenyl)sulfonylpiperazine

C19H23ClN2O3S — CID 113077144

IUPAC1-(3-chloro-4-methoxyphenyl)-4-(4-ethylphenyl)sulfonylpiperazine
SMILESCCc1ccc(S(=O)(=O)N2CCN(c3ccc(OC)c(Cl)c3)CC2)cc1
InChIInChI=1S/C19H23ClN2O3S/c1-3-15-4-7-17(8-5-15)26(23,24)22-12-10-21(11-13-22)16-6-9-19(25-2)18(20)14-16/h4-9,14H,3,10-13H2,1-2H3
InChIKeyPEBJKMWTGNQAOS-UHFFFAOYSA-N
MW394.92 g/mol
LogP3.42
Rot. Bonds5

About 1-(3-chloro-4-methoxyphenyl)-4-(4-ethylphenyl)sulfonylpiperazine

1-(3-chloro-4-methoxyphenyl)-4-(4-ethylphenyl)sulfonylpiperazine (PubChem CID 113077144) has the molecular formula C19H23ClN2O3S and a molecular weight of 394.92 g/mol. Its IUPAC name is 1-(3-chloro-4-methoxyphenyl)-4-(4-ethylphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(3-chloro-4-methoxyphenyl)-4-(4-ethylphenyl)sulfonylpiperazine
PubChem CID113077144
Molecular FormulaC19H23ClN2O3S
Molecular Weight394.92 g/mol
Exact Mass394.11
IUPAC Name1-(3-chloro-4-methoxyphenyl)-4-(4-ethylphenyl)sulfonylpiperazine
SMILESCCc1ccc(S(=O)(=O)N2CCN(c3ccc(OC)c(Cl)c3)CC2)cc1
InChIInChI=1S/C19H23ClN2O3S/c1-3-15-4-7-17(8-5-15)26(23,24)22-12-10-21(11-13-22)16-6-9-19(25-2)18(20)14-16/h4-9,14H,3,10-13H2,1-2H3
InChIKeyPEBJKMWTGNQAOS-UHFFFAOYSA-N
XLogP3.42
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.92
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 1-(3-chloro-4-methoxyphenyl)-4-(4-ethylphenyl)sulfonylpiperazine 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

1-(3-chloro-4-methoxyphenyl)-4-(4-methylphenyl)sulfonylpiperazine
CID 113077138
1-(4-ethylphenyl)-4-(4-ethylphenyl)sulfonylpiperazine
CID 113075945
1-(3,4-dimethylphenyl)-4-(4-ethylphenyl)sulfonylpiperazine
CID 2198495
1-(2,5-dichloro-4-methoxyphenyl)sulfonyl-4-(4-ethylphenyl)piperazine
CID 2208743
1-(3-chloro-4-methoxyphenyl)sulfonyl-4-(3,4-dimethylphenyl)piperazine
CID 113075565
1-(3,4-difluorophenyl)-4-(4-ethylphenyl)sulfonylpiperazine
CID 113081413
1-butylsulfonyl-4-(3-chloro-4-methoxyphenyl)piperazine
CID 113077135
1-(3-chloro-4-methoxyphenyl)sulfonyl-4-(2-ethylphenyl)piperazine
CID 113075861
1-(4-ethylphenyl)-4-(2-methoxy-5-methylphenyl)sulfonylpiperazine
CID 34117918
1-(3,4-dimethylphenyl)sulfonyl-4-(4-ethylphenyl)piperazine
CID 113075942
methyl 4-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]benzoate
CID 113078599
1-(4-ethylphenyl)sulfonyl-4-(4-methoxyphenyl)sulfonylpiperazine
CID 19684101

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methoxyphenyl)-4-(4-ethylphenyl)sulfonylpiperazine?
The IUPAC name of 1-(3-chloro-4-methoxyphenyl)-4-(4-ethylphenyl)sulfonylpiperazine (CID 113077144) is 1-(3-chloro-4-methoxyphenyl)-4-(4-ethylphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-(3-chloro-4-methoxyphenyl)-4-(4-ethylphenyl)sulfonylpiperazine?
The canonical SMILES for 1-(3-chloro-4-methoxyphenyl)-4-(4-ethylphenyl)sulfonylpiperazine is CCc1ccc(S(=O)(=O)N2CCN(c3ccc(OC)c(Cl)c3)CC2)cc1.
What is the InChIKey of 1-(3-chloro-4-methoxyphenyl)-4-(4-ethylphenyl)sulfonylpiperazine?
The InChIKey is PEBJKMWTGNQAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O3S/c1-3-15-4-7-17(8-5-15)26(23,24)22-12-10-21(11-13-22)16-6-9-19(25-2)18(20)14-16/h4-9,14H,3,10-13H2,1-2H3.
What are the key properties of 1-(3-chloro-4-methoxyphenyl)-4-(4-ethylphenyl)sulfonylpiperazine?
1-(3-chloro-4-methoxyphenyl)-4-(4-ethylphenyl)sulfonylpiperazine has a molecular weight of 394.92 g/mol, XLogP of 3.42, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methoxyphenyl)-4-(4-ethylphenyl)sulfonylpiperazine is sourced from PubChem (CID 113077144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).