1-methyl-4-[4-(4-methylphenyl)phenyl]sulfonylpiperazine

C18H22N2O2S — CID 889439

IUPAC1-methyl-4-[4-(4-methylphenyl)phenyl]sulfonylpiperazine
SMILESCc1ccc(-c2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)cc1
InChIInChI=1S/C18H22N2O2S/c1-15-3-5-16(6-4-15)17-7-9-18(10-8-17)23(21,22)20-13-11-19(2)12-14-20/h3-10H,11-14H2,1-2H3
InChIKeySCDXRVSGIAKNJZ-UHFFFAOYSA-N
MW330.45 g/mol
LogP2.60
Rot. Bonds3

About 1-methyl-4-[4-(4-methylphenyl)phenyl]sulfonylpiperazine

1-methyl-4-[4-(4-methylphenyl)phenyl]sulfonylpiperazine (PubChem CID 889439) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is 1-methyl-4-[4-(4-methylphenyl)phenyl]sulfonylpiperazine.

Molecular Properties

Compound Name1-methyl-4-[4-(4-methylphenyl)phenyl]sulfonylpiperazine
PubChem CID889439
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC Name1-methyl-4-[4-(4-methylphenyl)phenyl]sulfonylpiperazine
SMILESCc1ccc(-c2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)cc1
InChIInChI=1S/C18H22N2O2S/c1-15-3-5-16(6-4-15)17-7-9-18(10-8-17)23(21,22)20-13-11-19(2)12-14-20/h3-10H,11-14H2,1-2H3
InChIKeySCDXRVSGIAKNJZ-UHFFFAOYSA-N
XLogP2.60
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 ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-methyl-4-[4-(4-methylphenyl)phenyl]sulfonylpiperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methyl-4,7,10-tris-(4-methylphenyl)sulfonyl-1,4,7,10-tetrazacyclododecane
CID 12035988
1-methyl-4-(4-methylphenyl)sulfonyl-1,4-diazepane
CID 2354155
1-[4-(4-methylphenyl)phenyl]sulfonylazepane
CID 852205
1-ethylsulfonyl-4-(4-methylphenyl)sulfonylpiperazine
CID 719622
1-(4-methylphenyl)sulfonyl-azacycloundecane
CID 12715310
1-(4-methylphenyl)sulfonyl-4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazine
CID 22772839
1-(4-methylphenyl)sulfonyl-1,4,7-triazonane;1,4,7-tris-(4-methylphenyl)sulfonyl-1,4,7-triazonane
CID 172867320
[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 1327862
4-cyclopropylidene-1-(4-methylphenyl)sulfonylpiperidine
CID 121187247
4,10-bis-(4-methylphenyl)sulfonyl-1,7-dioxa-4,10-diazacyclododecane
CID 1101145
4-(4-methylphenyl)sulfonylthiomorpholine
CID 4068383
2-methylpropane;1-methyl-4-(4-propan-2-ylphenyl)sulfonylpiperazine
CID 156878015

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[4-(4-methylphenyl)phenyl]sulfonylpiperazine?
The IUPAC name of 1-methyl-4-[4-(4-methylphenyl)phenyl]sulfonylpiperazine (CID 889439) is 1-methyl-4-[4-(4-methylphenyl)phenyl]sulfonylpiperazine.
What is the SMILES notation for 1-methyl-4-[4-(4-methylphenyl)phenyl]sulfonylpiperazine?
The canonical SMILES for 1-methyl-4-[4-(4-methylphenyl)phenyl]sulfonylpiperazine is Cc1ccc(-c2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)cc1.
What is the InChIKey of 1-methyl-4-[4-(4-methylphenyl)phenyl]sulfonylpiperazine?
The InChIKey is SCDXRVSGIAKNJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-15-3-5-16(6-4-15)17-7-9-18(10-8-17)23(21,22)20-13-11-19(2)12-14-20/h3-10H,11-14H2,1-2H3.
What are the key properties of 1-methyl-4-[4-(4-methylphenyl)phenyl]sulfonylpiperazine?
1-methyl-4-[4-(4-methylphenyl)phenyl]sulfonylpiperazine has a molecular weight of 330.45 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[4-(4-methylphenyl)phenyl]sulfonylpiperazine is sourced from PubChem (CID 889439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).