1-(4-tert-butylphenyl)sulfonyl-4-(2,5-dimethylphenyl)piperazine

C22H30N2O2S — CID 2192290

IUPAC1-(4-tert-butylphenyl)sulfonyl-4-(2,5-dimethylphenyl)piperazine
SMILESCc1ccc(C)c(N2CCN(S(=O)(=O)c3ccc(C(C)(C)C)cc3)CC2)c1
InChIInChI=1S/C22H30N2O2S/c1-17-6-7-18(2)21(16-17)23-12-14-24(15-13-23)27(25,26)20-10-8-19(9-11-20)22(3,4)5/h6-11,16H,12-15H2,1-5H3
InChIKeyGWUMRMZWGMUWFS-UHFFFAOYSA-N
MW386.56 g/mol
LogP4.11
Rot. Bonds3

About 1-(4-tert-butylphenyl)sulfonyl-4-(2,5-dimethylphenyl)piperazine

1-(4-tert-butylphenyl)sulfonyl-4-(2,5-dimethylphenyl)piperazine (PubChem CID 2192290) has the molecular formula C22H30N2O2S and a molecular weight of 386.56 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)sulfonyl-4-(2,5-dimethylphenyl)piperazine.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)sulfonyl-4-(2,5-dimethylphenyl)piperazine
PubChem CID2192290
Molecular FormulaC22H30N2O2S
Molecular Weight386.56 g/mol
Exact Mass386.20
IUPAC Name1-(4-tert-butylphenyl)sulfonyl-4-(2,5-dimethylphenyl)piperazine
SMILESCc1ccc(C)c(N2CCN(S(=O)(=O)c3ccc(C(C)(C)C)cc3)CC2)c1
InChIInChI=1S/C22H30N2O2S/c1-17-6-7-18(2)21(16-17)23-12-14-24(15-13-23)27(25,26)20-10-8-19(9-11-20)22(3,4)5/h6-11,16H,12-15H2,1-5H3
InChIKeyGWUMRMZWGMUWFS-UHFFFAOYSA-N
XLogP4.11
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.56
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dimethylphenyl)-4-(4-methylphenyl)sulfonylpiperazine
CID 785540
1-(2,5-dimethylphenyl)-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine
CID 5006087
1-(5-iodo-2-methylphenyl)-4-(4-methylphenyl)sulfonylpiperazine
CID 59563961
1-(2,5-dimethylphenyl)-4-(3-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperazine
CID 650477
1-(2,5-dimethylphenyl)-4-(4-pyrazol-1-ylphenyl)sulfonylpiperazine
CID 20914787
5-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one
CID 18524431
1-(2-methylphenyl)-4-(4-methylphenyl)sulfonylpiperazine
CID 674120
1-(2,4-dimethylphenyl)-4-(3,4-dimethylphenyl)sulfonylpiperazine
CID 1293254
1-(2,5-dimethylphenyl)-4-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperazine
CID 113075483
1-(2,5-dimethylphenyl)-4-(2-methyl-5-nitrophenyl)sulfonylpiperazine
CID 5034124
7-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl-1,5-dihydro-1,5-benzodiazepine-2,4-dione
CID 20876188
3-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonylbenzonitrile
CID 3714109

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)sulfonyl-4-(2,5-dimethylphenyl)piperazine?
The IUPAC name of 1-(4-tert-butylphenyl)sulfonyl-4-(2,5-dimethylphenyl)piperazine (CID 2192290) is 1-(4-tert-butylphenyl)sulfonyl-4-(2,5-dimethylphenyl)piperazine.
What is the SMILES notation for 1-(4-tert-butylphenyl)sulfonyl-4-(2,5-dimethylphenyl)piperazine?
The canonical SMILES for 1-(4-tert-butylphenyl)sulfonyl-4-(2,5-dimethylphenyl)piperazine is Cc1ccc(C)c(N2CCN(S(=O)(=O)c3ccc(C(C)(C)C)cc3)CC2)c1.
What is the InChIKey of 1-(4-tert-butylphenyl)sulfonyl-4-(2,5-dimethylphenyl)piperazine?
The InChIKey is GWUMRMZWGMUWFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O2S/c1-17-6-7-18(2)21(16-17)23-12-14-24(15-13-23)27(25,26)20-10-8-19(9-11-20)22(3,4)5/h6-11,16H,12-15H2,1-5H3.
What are the key properties of 1-(4-tert-butylphenyl)sulfonyl-4-(2,5-dimethylphenyl)piperazine?
1-(4-tert-butylphenyl)sulfonyl-4-(2,5-dimethylphenyl)piperazine has a molecular weight of 386.56 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)sulfonyl-4-(2,5-dimethylphenyl)piperazine is sourced from PubChem (CID 2192290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).