1-(4-methoxy-2-methylphenyl)sulfonyl-4-(2-propan-2-ylphenyl)piperazine

C21H28N2O3S — CID 113076150

IUPAC1-(4-methoxy-2-methylphenyl)sulfonyl-4-(2-propan-2-ylphenyl)piperazine
SMILESCOc1ccc(S(=O)(=O)N2CCN(c3ccccc3C(C)C)CC2)c(C)c1
InChIInChI=1S/C21H28N2O3S/c1-16(2)19-7-5-6-8-20(19)22-11-13-23(14-12-22)27(24,25)21-10-9-18(26-4)15-17(21)3/h5-10,15-16H,11-14H2,1-4H3
InChIKeyWVAZVBMNBPTWFY-UHFFFAOYSA-N
MW388.53 g/mol
LogP3.64
Rot. Bonds5

About 1-(4-methoxy-2-methylphenyl)sulfonyl-4-(2-propan-2-ylphenyl)piperazine

1-(4-methoxy-2-methylphenyl)sulfonyl-4-(2-propan-2-ylphenyl)piperazine (PubChem CID 113076150) has the molecular formula C21H28N2O3S and a molecular weight of 388.53 g/mol. Its IUPAC name is 1-(4-methoxy-2-methylphenyl)sulfonyl-4-(2-propan-2-ylphenyl)piperazine.

Molecular Properties

Compound Name1-(4-methoxy-2-methylphenyl)sulfonyl-4-(2-propan-2-ylphenyl)piperazine
PubChem CID113076150
Molecular FormulaC21H28N2O3S
Molecular Weight388.53 g/mol
Exact Mass388.18
IUPAC Name1-(4-methoxy-2-methylphenyl)sulfonyl-4-(2-propan-2-ylphenyl)piperazine
SMILESCOc1ccc(S(=O)(=O)N2CCN(c3ccccc3C(C)C)CC2)c(C)c1
InChIInChI=1S/C21H28N2O3S/c1-16(2)19-7-5-6-8-20(19)22-11-13-23(14-12-22)27(24,25)21-10-9-18(26-4)15-17(21)3/h5-10,15-16H,11-14H2,1-4H3
InChIKeyWVAZVBMNBPTWFY-UHFFFAOYSA-N
XLogP3.64
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.53
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(4-methoxy-2-methylphenyl)sulfonyl-4-(2-propan-2-ylphenyl)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

1-(4-methoxy-2-methylphenyl)sulfonyl-4-(2-methylphenyl)piperazine
CID 113075257
1-(4-methoxy-2-methylphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 113077346
1-(2,4-dimethoxyphenyl)-4-(2-methylphenyl)sulfonylpiperazine
CID 113077949
1-(3,4-dimethylphenyl)sulfonyl-4-(2-propan-2-ylphenyl)piperazine
CID 113076142
1-(2,4-dimethylphenyl)sulfonyl-4-(2-methylphenyl)piperazine
CID 6465958
1-(benzenesulfonyl)-4-(2-propan-2-ylphenyl)piperazine
CID 113076137
2-[4-(4-methoxy-2-methylphenyl)sulfonylpiperazin-1-yl]propanamide
CID 110750517
1-(3-methoxyphenyl)-4-(2-methylphenyl)sulfonylpiperazine
CID 113077373
1-(4-methoxy-2-methylphenyl)sulfonyl-4-[methoxy(phenyl)methyl]piperidine
CID 110357844
(2S)-1-(4-methoxy-2-methylphenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 7456409
4-(3-chlorophenoxy)-1-(4-methoxy-2-methylphenyl)sulfonylpiperidine
CID 110358902
1-[4-(4-methoxy-2-methylphenyl)sulfonylpiperazin-1-yl]-3,3-dimethylbutan-1-one
CID 110818820

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2-methylphenyl)sulfonyl-4-(2-propan-2-ylphenyl)piperazine?
The IUPAC name of 1-(4-methoxy-2-methylphenyl)sulfonyl-4-(2-propan-2-ylphenyl)piperazine (CID 113076150) is 1-(4-methoxy-2-methylphenyl)sulfonyl-4-(2-propan-2-ylphenyl)piperazine.
What is the SMILES notation for 1-(4-methoxy-2-methylphenyl)sulfonyl-4-(2-propan-2-ylphenyl)piperazine?
The canonical SMILES for 1-(4-methoxy-2-methylphenyl)sulfonyl-4-(2-propan-2-ylphenyl)piperazine is COc1ccc(S(=O)(=O)N2CCN(c3ccccc3C(C)C)CC2)c(C)c1.
What is the InChIKey of 1-(4-methoxy-2-methylphenyl)sulfonyl-4-(2-propan-2-ylphenyl)piperazine?
The InChIKey is WVAZVBMNBPTWFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3S/c1-16(2)19-7-5-6-8-20(19)22-11-13-23(14-12-22)27(24,25)21-10-9-18(26-4)15-17(21)3/h5-10,15-16H,11-14H2,1-4H3.
What are the key properties of 1-(4-methoxy-2-methylphenyl)sulfonyl-4-(2-propan-2-ylphenyl)piperazine?
1-(4-methoxy-2-methylphenyl)sulfonyl-4-(2-propan-2-ylphenyl)piperazine has a molecular weight of 388.53 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-2-methylphenyl)sulfonyl-4-(2-propan-2-ylphenyl)piperazine is sourced from PubChem (CID 113076150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).