1-(4-methoxy-3,5-dimethylphenyl)sulfonyl-4-(3-methylphenyl)piperazine

C20H26N2O3S — CID 112823078

IUPAC1-(4-methoxy-3,5-dimethylphenyl)sulfonyl-4-(3-methylphenyl)piperazine
SMILESCOc1c(C)cc(S(=O)(=O)N2CCN(c3cccc(C)c3)CC2)cc1C
InChIInChI=1S/C20H26N2O3S/c1-15-6-5-7-18(12-15)21-8-10-22(11-9-21)26(23,24)19-13-16(2)20(25-4)17(3)14-19/h5-7,12-14H,8-11H2,1-4H3
InChIKeyHYQLGMCZEXQZKB-UHFFFAOYSA-N
MW374.51 g/mol
LogP3.13
Rot. Bonds4

About 1-(4-methoxy-3,5-dimethylphenyl)sulfonyl-4-(3-methylphenyl)piperazine

1-(4-methoxy-3,5-dimethylphenyl)sulfonyl-4-(3-methylphenyl)piperazine (PubChem CID 112823078) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is 1-(4-methoxy-3,5-dimethylphenyl)sulfonyl-4-(3-methylphenyl)piperazine.

Molecular Properties

Compound Name1-(4-methoxy-3,5-dimethylphenyl)sulfonyl-4-(3-methylphenyl)piperazine
PubChem CID112823078
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC Name1-(4-methoxy-3,5-dimethylphenyl)sulfonyl-4-(3-methylphenyl)piperazine
SMILESCOc1c(C)cc(S(=O)(=O)N2CCN(c3cccc(C)c3)CC2)cc1C
InChIInChI=1S/C20H26N2O3S/c1-15-6-5-7-18(12-15)21-8-10-22(11-9-21)26(23,24)19-13-16(2)20(25-4)17(3)14-19/h5-7,12-14H,8-11H2,1-4H3
InChIKeyHYQLGMCZEXQZKB-UHFFFAOYSA-N
XLogP3.13
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(4-methoxy-3,5-dimethylphenyl)sulfonyl-4-(3-methylphenyl)piperazine 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

[4-(4-methoxy-3,5-dimethylphenyl)sulfonyl-1,4-diazepan-1-yl]-(3-methylphenyl)methanone
CID 112823143
1-(2-chloro-4-methylphenyl)sulfonyl-4-(3-methylphenyl)piperazine
CID 32680669
1-(2,3-dichlorophenyl)sulfonyl-4-(3-methylphenyl)piperazine
CID 27305897
1-(3-methylphenyl)-4-pyrrolidin-1-ylsulfonylpiperazine
CID 110705779
1-[4-[4-(3-methylphenyl)piperazin-1-yl]sulfonylphenyl]pyrrolidin-2-one
CID 22695534
methyl 2-[4-(3-methylphenyl)piperazin-1-yl]sulfonylbenzoate
CID 51263564
1-[3-[4-(4-methoxy-3-methylphenyl)sulfonylpiperazin-1-yl]phenyl]ethanone
CID 113078159
1-(3-methoxyphenyl)-4-(2-methylphenyl)sulfonylpiperazine
CID 113077373
1-(4-methoxy-3,5-dimethylphenyl)sulfonyl-4-(2-phenylethyl)piperazine
CID 112823091
8-[4-(3-methylphenyl)piperazin-1-yl]sulfonyl-2,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepin-1-one
CID 53182837
1-(2-methoxy-5-nitrophenyl)sulfonyl-4-(3-methylphenyl)piperazine
CID 51263569
2-[4-(3-methylphenyl)piperazin-1-yl]sulfonylpropanoic acid
CID 61454191

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-3,5-dimethylphenyl)sulfonyl-4-(3-methylphenyl)piperazine?
The IUPAC name of 1-(4-methoxy-3,5-dimethylphenyl)sulfonyl-4-(3-methylphenyl)piperazine (CID 112823078) is 1-(4-methoxy-3,5-dimethylphenyl)sulfonyl-4-(3-methylphenyl)piperazine.
What is the SMILES notation for 1-(4-methoxy-3,5-dimethylphenyl)sulfonyl-4-(3-methylphenyl)piperazine?
The canonical SMILES for 1-(4-methoxy-3,5-dimethylphenyl)sulfonyl-4-(3-methylphenyl)piperazine is COc1c(C)cc(S(=O)(=O)N2CCN(c3cccc(C)c3)CC2)cc1C.
What is the InChIKey of 1-(4-methoxy-3,5-dimethylphenyl)sulfonyl-4-(3-methylphenyl)piperazine?
The InChIKey is HYQLGMCZEXQZKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-15-6-5-7-18(12-15)21-8-10-22(11-9-21)26(23,24)19-13-16(2)20(25-4)17(3)14-19/h5-7,12-14H,8-11H2,1-4H3.
What are the key properties of 1-(4-methoxy-3,5-dimethylphenyl)sulfonyl-4-(3-methylphenyl)piperazine?
1-(4-methoxy-3,5-dimethylphenyl)sulfonyl-4-(3-methylphenyl)piperazine has a molecular weight of 374.51 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-3,5-dimethylphenyl)sulfonyl-4-(3-methylphenyl)piperazine is sourced from PubChem (CID 112823078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).