1-(2,6-diethylphenyl)-4-(4-methylphenyl)sulfonylpiperazine

C21H28N2O2S — CID 113076386

IUPAC1-(2,6-diethylphenyl)-4-(4-methylphenyl)sulfonylpiperazine
SMILESCCc1cccc(CC)c1N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C21H28N2O2S/c1-4-18-7-6-8-19(5-2)21(18)22-13-15-23(16-14-22)26(24,25)20-11-9-17(3)10-12-20/h6-12H,4-5,13-16H2,1-3H3
InChIKeyIDVADKTYMMJBLY-UHFFFAOYSA-N
MW372.53 g/mol
LogP3.63
Rot. Bonds5

About 1-(2,6-diethylphenyl)-4-(4-methylphenyl)sulfonylpiperazine

1-(2,6-diethylphenyl)-4-(4-methylphenyl)sulfonylpiperazine (PubChem CID 113076386) has the molecular formula C21H28N2O2S and a molecular weight of 372.53 g/mol. Its IUPAC name is 1-(2,6-diethylphenyl)-4-(4-methylphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(2,6-diethylphenyl)-4-(4-methylphenyl)sulfonylpiperazine
PubChem CID113076386
Molecular FormulaC21H28N2O2S
Molecular Weight372.53 g/mol
Exact Mass372.19
IUPAC Name1-(2,6-diethylphenyl)-4-(4-methylphenyl)sulfonylpiperazine
SMILESCCc1cccc(CC)c1N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C21H28N2O2S/c1-4-18-7-6-8-19(5-2)21(18)22-13-15-23(16-14-22)26(24,25)20-11-9-17(3)10-12-20/h6-12H,4-5,13-16H2,1-3H3
InChIKeyIDVADKTYMMJBLY-UHFFFAOYSA-N
XLogP3.63
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.53
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethylsulfonyl-4-(4-methylphenyl)sulfonylpiperazine
CID 719622
1-(2-bromo-6-chlorophenyl)-4-(4-methylphenyl)sulfonylpiperazine
CID 169336690
1-(2-methylphenyl)-4-(4-methylphenyl)sulfonylpiperazine
CID 674120
1-methyl-4,7,10-tris-(4-methylphenyl)sulfonyl-1,4,7,10-tetrazacyclododecane
CID 12035988
N-[3-chloro-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]phenyl]-2-(4-chlorophenyl)acetamide
CID 17092364
1-(4-methylphenyl)sulfonyl-azacycloundecane
CID 12715310
1-(2,6-diethylphenyl)-4-methylpiperazine
CID 58732893
1-(2,5-dimethylphenyl)-4-(4-methylphenyl)sulfonylpiperazine
CID 785540
1-(4-butylphenyl)sulfonyl-4-(4-methylphenyl)sulfonylpiperazine
CID 17377884
1-methyl-4-[4-(4-methylphenyl)phenyl]sulfonylpiperazine
CID 889439
1-(4-methylphenyl)sulfonyl-4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazine
CID 22772839
1-(4-ethylphenyl)-4-(4-ethylphenyl)sulfonylpiperazine
CID 113075945

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-diethylphenyl)-4-(4-methylphenyl)sulfonylpiperazine?
The IUPAC name of 1-(2,6-diethylphenyl)-4-(4-methylphenyl)sulfonylpiperazine (CID 113076386) is 1-(2,6-diethylphenyl)-4-(4-methylphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-(2,6-diethylphenyl)-4-(4-methylphenyl)sulfonylpiperazine?
The canonical SMILES for 1-(2,6-diethylphenyl)-4-(4-methylphenyl)sulfonylpiperazine is CCc1cccc(CC)c1N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1.
What is the InChIKey of 1-(2,6-diethylphenyl)-4-(4-methylphenyl)sulfonylpiperazine?
The InChIKey is IDVADKTYMMJBLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2S/c1-4-18-7-6-8-19(5-2)21(18)22-13-15-23(16-14-22)26(24,25)20-11-9-17(3)10-12-20/h6-12H,4-5,13-16H2,1-3H3.
What are the key properties of 1-(2,6-diethylphenyl)-4-(4-methylphenyl)sulfonylpiperazine?
1-(2,6-diethylphenyl)-4-(4-methylphenyl)sulfonylpiperazine has a molecular weight of 372.53 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-diethylphenyl)-4-(4-methylphenyl)sulfonylpiperazine is sourced from PubChem (CID 113076386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).