1-(2,4-dimethylphenyl)-4-(3,4-dimethylphenyl)sulfonylpiperazine

C20H26N2O2S — CID 1293254

IUPAC1-(2,4-dimethylphenyl)-4-(3,4-dimethylphenyl)sulfonylpiperazine
SMILESCc1ccc(N2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)c(C)c1
InChIInChI=1S/C20H26N2O2S/c1-15-5-8-20(18(4)13-15)21-9-11-22(12-10-21)25(23,24)19-7-6-16(2)17(3)14-19/h5-8,13-14H,9-12H2,1-4H3
InChIKeyIPPGBLYOPPWWFJ-UHFFFAOYSA-N
MW358.51 g/mol
LogP3.43
Rot. Bonds3

About 1-(2,4-dimethylphenyl)-4-(3,4-dimethylphenyl)sulfonylpiperazine

1-(2,4-dimethylphenyl)-4-(3,4-dimethylphenyl)sulfonylpiperazine (PubChem CID 1293254) has the molecular formula C20H26N2O2S and a molecular weight of 358.51 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-4-(3,4-dimethylphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-4-(3,4-dimethylphenyl)sulfonylpiperazine
PubChem CID1293254
Molecular FormulaC20H26N2O2S
Molecular Weight358.51 g/mol
Exact Mass358.17
IUPAC Name1-(2,4-dimethylphenyl)-4-(3,4-dimethylphenyl)sulfonylpiperazine
SMILESCc1ccc(N2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)c(C)c1
InChIInChI=1S/C20H26N2O2S/c1-15-5-8-20(18(4)13-15)21-9-11-22(12-10-21)25(23,24)19-7-6-16(2)17(3)14-19/h5-8,13-14H,9-12H2,1-4H3
InChIKeyIPPGBLYOPPWWFJ-UHFFFAOYSA-N
XLogP3.43
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,3-benzodioxol-5-ylsulfonyl)-4-(2,4-dimethylphenyl)piperazine
CID 113075406
1-(2,5-dimethylphenyl)-4-(4-methylphenyl)sulfonylpiperazine
CID 785540
1-(2,4-dimethylphenyl)-4-ethylsulfonylpiperazine
CID 23987033
1-(3,4-dimethylphenyl)sulfonyl-4-(2-propan-2-ylphenyl)piperazine
CID 113076142
1-(2,4-dimethylphenyl)-4-[3-(trifluoromethoxy)phenyl]sulfonylpiperazine
CID 167932774
4-(3,4-dimethylphenyl)sulfonylpiperazin-1-amine
CID 82305650
1-(3-chloro-4-methylphenyl)-4-(3,4-dimethylphenyl)sulfonylpiperazine
CID 1261021
1-(2,5-dimethylphenyl)-4-(3-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperazine
CID 650477
1-(4-bromo-2,5-dimethylphenyl)sulfonyl-4-(2,4-dimethylphenyl)piperazine
CID 2137807
1-(4-tert-butylphenyl)sulfonyl-4-(2,5-dimethylphenyl)piperazine
CID 2192290
1-(2-methylphenyl)-4-(4-methylphenyl)sulfonylpiperazine
CID 674120
1-(2,4-dimethylphenyl)-4-(4-methylsulfonylphenyl)piperazine
CID 163357220

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-4-(3,4-dimethylphenyl)sulfonylpiperazine?
The IUPAC name of 1-(2,4-dimethylphenyl)-4-(3,4-dimethylphenyl)sulfonylpiperazine (CID 1293254) is 1-(2,4-dimethylphenyl)-4-(3,4-dimethylphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-4-(3,4-dimethylphenyl)sulfonylpiperazine?
The canonical SMILES for 1-(2,4-dimethylphenyl)-4-(3,4-dimethylphenyl)sulfonylpiperazine is Cc1ccc(N2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-4-(3,4-dimethylphenyl)sulfonylpiperazine?
The InChIKey is IPPGBLYOPPWWFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2S/c1-15-5-8-20(18(4)13-15)21-9-11-22(12-10-21)25(23,24)19-7-6-16(2)17(3)14-19/h5-8,13-14H,9-12H2,1-4H3.
What are the key properties of 1-(2,4-dimethylphenyl)-4-(3,4-dimethylphenyl)sulfonylpiperazine?
1-(2,4-dimethylphenyl)-4-(3,4-dimethylphenyl)sulfonylpiperazine has a molecular weight of 358.51 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-4-(3,4-dimethylphenyl)sulfonylpiperazine is sourced from PubChem (CID 1293254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).