1-(3,4-dimethylphenyl)-4-(4-ethylphenyl)sulfonylpiperazine

C20H26N2O2S — CID 2198495

IUPAC1-(3,4-dimethylphenyl)-4-(4-ethylphenyl)sulfonylpiperazine
SMILESCCc1ccc(S(=O)(=O)N2CCN(c3ccc(C)c(C)c3)CC2)cc1
InChIInChI=1S/C20H26N2O2S/c1-4-18-6-9-20(10-7-18)25(23,24)22-13-11-21(12-14-22)19-8-5-16(2)17(3)15-19/h5-10,15H,4,11-14H2,1-3H3
InChIKeyYBORVUHCJLUBQX-UHFFFAOYSA-N
MW358.51 g/mol
LogP3.38
Rot. Bonds4

About 1-(3,4-dimethylphenyl)-4-(4-ethylphenyl)sulfonylpiperazine

1-(3,4-dimethylphenyl)-4-(4-ethylphenyl)sulfonylpiperazine (PubChem CID 2198495) has the molecular formula C20H26N2O2S and a molecular weight of 358.51 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-4-(4-ethylphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-4-(4-ethylphenyl)sulfonylpiperazine
PubChem CID2198495
Molecular FormulaC20H26N2O2S
Molecular Weight358.51 g/mol
Exact Mass358.17
IUPAC Name1-(3,4-dimethylphenyl)-4-(4-ethylphenyl)sulfonylpiperazine
SMILESCCc1ccc(S(=O)(=O)N2CCN(c3ccc(C)c(C)c3)CC2)cc1
InChIInChI=1S/C20H26N2O2S/c1-4-18-6-9-20(10-7-18)25(23,24)22-13-11-21(12-14-22)19-8-5-16(2)17(3)15-19/h5-10,15H,4,11-14H2,1-3H3
InChIKeyYBORVUHCJLUBQX-UHFFFAOYSA-N
XLogP3.38
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3,4-dimethylphenyl)sulfonyl-4-(4-ethylphenyl)piperazine
CID 113075942
1-(4-ethylphenyl)-4-(4-ethylphenyl)sulfonylpiperazine
CID 113075945
4-[4-(3,4-dimethylphenyl)piperazin-1-yl]sulfonylaniline
CID 2052059
1-(3,4-difluorophenyl)-4-(4-ethylphenyl)sulfonylpiperazine
CID 113081413
1-(3-chloro-4-methoxyphenyl)-4-(4-ethylphenyl)sulfonylpiperazine
CID 113077144
1-(3-chloro-4-methylphenyl)-4-(3,4-dimethylphenyl)sulfonylpiperazine
CID 1261021
1-(5-chloro-2-methylphenyl)-4-(4-ethylphenyl)sulfonylpiperazine
CID 19682893
methyl 4-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]benzoate
CID 113078599
1-(3-chloro-4-methoxyphenyl)sulfonyl-4-(3,4-dimethylphenyl)piperazine
CID 113075565
1-(3,4-dimethylphenyl)-4-(4-methylsulfonylphenyl)piperazine
CID 133451865
1-(3,4-dimethylphenyl)sulfonyl-4-(4-methoxyphenyl)piperazine
CID 2478081
5-[4-(4-ethylphenyl)piperazin-1-yl]sulfonyl-1-methyl-3H-indol-2-one
CID 113075964

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-4-(4-ethylphenyl)sulfonylpiperazine?
The IUPAC name of 1-(3,4-dimethylphenyl)-4-(4-ethylphenyl)sulfonylpiperazine (CID 2198495) is 1-(3,4-dimethylphenyl)-4-(4-ethylphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-4-(4-ethylphenyl)sulfonylpiperazine?
The canonical SMILES for 1-(3,4-dimethylphenyl)-4-(4-ethylphenyl)sulfonylpiperazine is CCc1ccc(S(=O)(=O)N2CCN(c3ccc(C)c(C)c3)CC2)cc1.
What is the InChIKey of 1-(3,4-dimethylphenyl)-4-(4-ethylphenyl)sulfonylpiperazine?
The InChIKey is YBORVUHCJLUBQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2S/c1-4-18-6-9-20(10-7-18)25(23,24)22-13-11-21(12-14-22)19-8-5-16(2)17(3)15-19/h5-10,15H,4,11-14H2,1-3H3.
What are the key properties of 1-(3,4-dimethylphenyl)-4-(4-ethylphenyl)sulfonylpiperazine?
1-(3,4-dimethylphenyl)-4-(4-ethylphenyl)sulfonylpiperazine has a molecular weight of 358.51 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-4-(4-ethylphenyl)sulfonylpiperazine is sourced from PubChem (CID 2198495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).