1-(2-methylphenyl)-4-(4-methylphenyl)sulfonylpiperazine

C18H22N2O2S — CID 674120

IUPAC1-(2-methylphenyl)-4-(4-methylphenyl)sulfonylpiperazine
SMILESCc1ccc(S(=O)(=O)N2CCN(c3ccccc3C)CC2)cc1
InChIInChI=1S/C18H22N2O2S/c1-15-7-9-17(10-8-15)23(21,22)20-13-11-19(12-14-20)18-6-4-3-5-16(18)2/h3-10H,11-14H2,1-2H3
InChIKeyDAOHTJRUMNXVJW-UHFFFAOYSA-N
MW330.45 g/mol
LogP2.81
Rot. Bonds3

About 1-(2-methylphenyl)-4-(4-methylphenyl)sulfonylpiperazine

1-(2-methylphenyl)-4-(4-methylphenyl)sulfonylpiperazine (PubChem CID 674120) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is 1-(2-methylphenyl)-4-(4-methylphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(2-methylphenyl)-4-(4-methylphenyl)sulfonylpiperazine
PubChem CID674120
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC Name1-(2-methylphenyl)-4-(4-methylphenyl)sulfonylpiperazine
SMILESCc1ccc(S(=O)(=O)N2CCN(c3ccccc3C)CC2)cc1
InChIInChI=1S/C18H22N2O2S/c1-15-7-9-17(10-8-15)23(21,22)20-13-11-19(12-14-20)18-6-4-3-5-16(18)2/h3-10H,11-14H2,1-2H3
InChIKeyDAOHTJRUMNXVJW-UHFFFAOYSA-N
XLogP2.81
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 52.81
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-(2,4-dimethylphenyl)sulfonyl-4-(2-methylphenyl)piperazine
CID 6465958
N-[[4-[4-(2-methylphenyl)piperazin-1-yl]sulfonylphenyl]methyl]ethanamine
CID 71040305
1-(5-iodo-2-methylphenyl)-4-(4-methylphenyl)sulfonylpiperazine
CID 59563961
1-ethylsulfonyl-4-(2-methylphenyl)piperazine
CID 6468889
1-(2,3-dimethylphenyl)-4-(4-fluorophenyl)sulfonylpiperazine
CID 694818
1-(2,3-dimethylphenyl)-4-(4-iodophenyl)sulfonylpiperazine
CID 3590123
1-(4-bromophenyl)sulfonyl-4-(2,3-dimethylphenyl)piperazine
CID 1344730
1-(4-tert-butylphenyl)sulfonyl-4-(2,5-dimethylphenyl)piperazine
CID 2192290
1-(2,4-dimethylphenyl)-4-(3,4-dimethylphenyl)sulfonylpiperazine
CID 1293254
1-methyl-4,7,10-tris-(4-methylphenyl)sulfonyl-1,4,7,10-tetrazacyclododecane
CID 12035988
1-(benzenesulfonyl)-4-(2-propan-2-ylphenyl)piperazine
CID 113076137

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-4-(4-methylphenyl)sulfonylpiperazine?
The IUPAC name of 1-(2-methylphenyl)-4-(4-methylphenyl)sulfonylpiperazine (CID 674120) is 1-(2-methylphenyl)-4-(4-methylphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-(2-methylphenyl)-4-(4-methylphenyl)sulfonylpiperazine?
The canonical SMILES for 1-(2-methylphenyl)-4-(4-methylphenyl)sulfonylpiperazine is Cc1ccc(S(=O)(=O)N2CCN(c3ccccc3C)CC2)cc1.
What is the InChIKey of 1-(2-methylphenyl)-4-(4-methylphenyl)sulfonylpiperazine?
The InChIKey is DAOHTJRUMNXVJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-15-7-9-17(10-8-15)23(21,22)20-13-11-19(12-14-20)18-6-4-3-5-16(18)2/h3-10H,11-14H2,1-2H3.
What are the key properties of 1-(2-methylphenyl)-4-(4-methylphenyl)sulfonylpiperazine?
1-(2-methylphenyl)-4-(4-methylphenyl)sulfonylpiperazine has a molecular weight of 330.45 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-4-(4-methylphenyl)sulfonylpiperazine is sourced from PubChem (CID 674120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).