1-(3-methyl-4-propoxyphenyl)sulfonyl-4-(2,4,6-trimethylphenyl)piperazine

C23H32N2O3S — CID 91669821

IUPAC1-(3-methyl-4-propoxyphenyl)sulfonyl-4-(2,4,6-trimethylphenyl)piperazine
SMILESCCCOc1ccc(S(=O)(=O)N2CCN(c3c(C)cc(C)cc3C)CC2)cc1C
InChIInChI=1S/C23H32N2O3S/c1-6-13-28-22-8-7-21(16-18(22)3)29(26,27)25-11-9-24(10-12-25)23-19(4)14-17(2)15-20(23)5/h7-8,14-16H,6,9-13H2,1-5H3
InChIKeyMFFFZOGAUBIJFL-UHFFFAOYSA-N
MW416.59 g/mol
LogP4.22
Rot. Bonds6

About 1-(3-methyl-4-propoxyphenyl)sulfonyl-4-(2,4,6-trimethylphenyl)piperazine

1-(3-methyl-4-propoxyphenyl)sulfonyl-4-(2,4,6-trimethylphenyl)piperazine (PubChem CID 91669821) has the molecular formula C23H32N2O3S and a molecular weight of 416.59 g/mol. Its IUPAC name is 1-(3-methyl-4-propoxyphenyl)sulfonyl-4-(2,4,6-trimethylphenyl)piperazine.

Molecular Properties

Compound Name1-(3-methyl-4-propoxyphenyl)sulfonyl-4-(2,4,6-trimethylphenyl)piperazine
PubChem CID91669821
Molecular FormulaC23H32N2O3S
Molecular Weight416.59 g/mol
Exact Mass416.21
IUPAC Name1-(3-methyl-4-propoxyphenyl)sulfonyl-4-(2,4,6-trimethylphenyl)piperazine
SMILESCCCOc1ccc(S(=O)(=O)N2CCN(c3c(C)cc(C)cc3C)CC2)cc1C
InChIInChI=1S/C23H32N2O3S/c1-6-13-28-22-8-7-21(16-18(22)3)29(26,27)25-11-9-24(10-12-25)23-19(4)14-17(2)15-20(23)5/h7-8,14-16H,6,9-13H2,1-5H3
InChIKeyMFFFZOGAUBIJFL-UHFFFAOYSA-N
XLogP4.22
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.59
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methyl-4-propoxyphenyl)sulfonyl-4-methylsulfonylpiperidine
CID 90585261
1-(3,4-dimethoxyphenyl)sulfonyl-4-(2,4,6-trimethylphenyl)piperazine
CID 1088778
ethyl 4-(3-methyl-4-propoxyphenyl)sulfonylpiperazine-1-carboxylate
CID 6472617
1-(4-butoxy-3-methylphenyl)sulfonyl-4-(3-chloro-4-methylphenyl)piperazine
CID 91669896
1-(4-butoxy-3-methylphenyl)sulfonyl-4-(4-methoxyphenyl)piperazine
CID 35203146
1-(4-butoxy-3-methylphenyl)sulfonyl-4-(3,4-dichlorophenyl)piperazine
CID 91670225
1-(4-butoxy-3-methylphenyl)sulfonyl-4-(2-ethoxyphenyl)piperazine
CID 100671557
1-(4-butoxy-3-methylphenyl)sulfonyl-4-(2,5-dichlorophenyl)piperazine
CID 91670116
1-(4-heptoxy-3-methylphenyl)sulfonylpiperidine
CID 43845535
1-[4-(2-methoxyethoxy)-3-methylphenyl]sulfonyl-4-(4-methylphenyl)-1,4-diazepane
CID 87027482
4-(furan-2-ylmethylsulfonyl)-1-(3-methyl-4-propoxyphenyl)sulfonylpiperidine
CID 90590728
1-(3-methyl-4-propoxyphenyl)sulfonyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidine
CID 90592455

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-4-propoxyphenyl)sulfonyl-4-(2,4,6-trimethylphenyl)piperazine?
The IUPAC name of 1-(3-methyl-4-propoxyphenyl)sulfonyl-4-(2,4,6-trimethylphenyl)piperazine (CID 91669821) is 1-(3-methyl-4-propoxyphenyl)sulfonyl-4-(2,4,6-trimethylphenyl)piperazine.
What is the SMILES notation for 1-(3-methyl-4-propoxyphenyl)sulfonyl-4-(2,4,6-trimethylphenyl)piperazine?
The canonical SMILES for 1-(3-methyl-4-propoxyphenyl)sulfonyl-4-(2,4,6-trimethylphenyl)piperazine is CCCOc1ccc(S(=O)(=O)N2CCN(c3c(C)cc(C)cc3C)CC2)cc1C.
What is the InChIKey of 1-(3-methyl-4-propoxyphenyl)sulfonyl-4-(2,4,6-trimethylphenyl)piperazine?
The InChIKey is MFFFZOGAUBIJFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O3S/c1-6-13-28-22-8-7-21(16-18(22)3)29(26,27)25-11-9-24(10-12-25)23-19(4)14-17(2)15-20(23)5/h7-8,14-16H,6,9-13H2,1-5H3.
What are the key properties of 1-(3-methyl-4-propoxyphenyl)sulfonyl-4-(2,4,6-trimethylphenyl)piperazine?
1-(3-methyl-4-propoxyphenyl)sulfonyl-4-(2,4,6-trimethylphenyl)piperazine has a molecular weight of 416.59 g/mol, XLogP of 4.22, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-4-propoxyphenyl)sulfonyl-4-(2,4,6-trimethylphenyl)piperazine is sourced from PubChem (CID 91669821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).