1-(3,4-dimethylphenyl)sulfonyl-4-(4-methoxyphenyl)piperazine

C19H24N2O3S — CID 2478081

IUPAC1-(3,4-dimethylphenyl)sulfonyl-4-(4-methoxyphenyl)piperazine
SMILESCOc1ccc(N2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)cc1
InChIInChI=1S/C19H24N2O3S/c1-15-4-9-19(14-16(15)2)25(22,23)21-12-10-20(11-13-21)17-5-7-18(24-3)8-6-17/h4-9,14H,10-13H2,1-3H3
InChIKeyCCUPIITVHHCODX-UHFFFAOYSA-N
MW360.48 g/mol
LogP2.82
Rot. Bonds4

About 1-(3,4-dimethylphenyl)sulfonyl-4-(4-methoxyphenyl)piperazine

1-(3,4-dimethylphenyl)sulfonyl-4-(4-methoxyphenyl)piperazine (PubChem CID 2478081) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)sulfonyl-4-(4-methoxyphenyl)piperazine.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)sulfonyl-4-(4-methoxyphenyl)piperazine
PubChem CID2478081
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC Name1-(3,4-dimethylphenyl)sulfonyl-4-(4-methoxyphenyl)piperazine
SMILESCOc1ccc(N2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)cc1
InChIInChI=1S/C19H24N2O3S/c1-15-4-9-19(14-16(15)2)25(22,23)21-12-10-20(11-13-21)17-5-7-18(24-3)8-6-17/h4-9,14H,10-13H2,1-3H3
InChIKeyCCUPIITVHHCODX-UHFFFAOYSA-N
XLogP2.82
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methoxyphenyl)-4-(4-methylphenyl)sulfonylpiperazine
CID 798545
1-(4-methoxyphenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperazine
CID 1168311
1-(4-butoxy-3-methylphenyl)sulfonyl-4-(4-methoxyphenyl)piperazine
CID 35203146
1-(3-chloro-4-methylphenyl)-4-(3,4-dimethylphenyl)sulfonylpiperazine
CID 1261021
1-(3,4-dimethylphenyl)sulfonyl-4-(4-ethylphenyl)piperazine
CID 113075942
1-(4-chlorophenyl)sulfonyl-4-(4-methoxyphenyl)piperazine
CID 1160819
1-(3-chloro-4-fluorophenyl)sulfonyl-4-(4-methoxyphenyl)piperazine
CID 3756264
1-(3-chloro-4-methoxyphenyl)sulfonyl-4-(3,4-dimethylphenyl)piperazine
CID 113075565
1-(4-methoxyphenyl)-4-(3-methylsulfonylphenyl)sulfonylpiperazine
CID 55559198
1-(4-methoxyphenyl)-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine
CID 1288689
4-[4-(4-methoxy-3-methylphenyl)sulfonylpiperazin-1-yl]-N,N-dimethylaniline
CID 113078794
1-(4-methoxyphenyl)-4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]sulfonylpiperazine
CID 1166949

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)sulfonyl-4-(4-methoxyphenyl)piperazine?
The IUPAC name of 1-(3,4-dimethylphenyl)sulfonyl-4-(4-methoxyphenyl)piperazine (CID 2478081) is 1-(3,4-dimethylphenyl)sulfonyl-4-(4-methoxyphenyl)piperazine.
What is the SMILES notation for 1-(3,4-dimethylphenyl)sulfonyl-4-(4-methoxyphenyl)piperazine?
The canonical SMILES for 1-(3,4-dimethylphenyl)sulfonyl-4-(4-methoxyphenyl)piperazine is COc1ccc(N2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)cc1.
What is the InChIKey of 1-(3,4-dimethylphenyl)sulfonyl-4-(4-methoxyphenyl)piperazine?
The InChIKey is CCUPIITVHHCODX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-15-4-9-19(14-16(15)2)25(22,23)21-12-10-20(11-13-21)17-5-7-18(24-3)8-6-17/h4-9,14H,10-13H2,1-3H3.
What are the key properties of 1-(3,4-dimethylphenyl)sulfonyl-4-(4-methoxyphenyl)piperazine?
1-(3,4-dimethylphenyl)sulfonyl-4-(4-methoxyphenyl)piperazine has a molecular weight of 360.48 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)sulfonyl-4-(4-methoxyphenyl)piperazine is sourced from PubChem (CID 2478081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).