1-(4-butoxy-3-methylphenyl)sulfonyl-4-(2-ethoxyphenyl)piperazine

C23H32N2O4S — CID 100671557

IUPAC1-(4-butoxy-3-methylphenyl)sulfonyl-4-(2-ethoxyphenyl)piperazine
SMILESCCCCOc1ccc(S(=O)(=O)N2CCN(c3ccccc3OCC)CC2)cc1C
InChIInChI=1S/C23H32N2O4S/c1-4-6-17-29-22-12-11-20(18-19(22)3)30(26,27)25-15-13-24(14-16-25)21-9-7-8-10-23(21)28-5-2/h7-12,18H,4-6,13-17H2,1-3H3
InChIKeyCVNDXSRJTNHHBJ-UHFFFAOYSA-N
MW432.59 g/mol
LogP4.08
Rot. Bonds9

About 1-(4-butoxy-3-methylphenyl)sulfonyl-4-(2-ethoxyphenyl)piperazine

1-(4-butoxy-3-methylphenyl)sulfonyl-4-(2-ethoxyphenyl)piperazine (PubChem CID 100671557) has the molecular formula C23H32N2O4S and a molecular weight of 432.59 g/mol. Its IUPAC name is 1-(4-butoxy-3-methylphenyl)sulfonyl-4-(2-ethoxyphenyl)piperazine.

Molecular Properties

Compound Name1-(4-butoxy-3-methylphenyl)sulfonyl-4-(2-ethoxyphenyl)piperazine
PubChem CID100671557
Molecular FormulaC23H32N2O4S
Molecular Weight432.59 g/mol
Exact Mass432.21
IUPAC Name1-(4-butoxy-3-methylphenyl)sulfonyl-4-(2-ethoxyphenyl)piperazine
SMILESCCCCOc1ccc(S(=O)(=O)N2CCN(c3ccccc3OCC)CC2)cc1C
InChIInChI=1S/C23H32N2O4S/c1-4-6-17-29-22-12-11-20(18-19(22)3)30(26,27)25-15-13-24(14-16-25)21-9-7-8-10-23(21)28-5-2/h7-12,18H,4-6,13-17H2,1-3H3
InChIKeyCVNDXSRJTNHHBJ-UHFFFAOYSA-N
XLogP4.08
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.59
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-butoxy-3-methylphenyl)sulfonyl-4-(2,5-dichlorophenyl)piperazine
CID 91670116
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-(2-chlorophenyl)-4-(3,4-diethoxyphenyl)sulfonylpiperazine
CID 9030930
1-(4-heptoxy-3-methylphenyl)sulfonylpiperidine
CID 43845535
1-(3-methyl-4-propoxyphenyl)sulfonyl-4-(2,4,6-trimethylphenyl)piperazine
CID 91669821
1-(2-ethoxyphenyl)-4-(4-methyl-5-propan-2-yl-2-propoxyphenyl)sulfonylpiperazine
CID 146095918
1-(4-ethoxyphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 1098869
1-(4-butoxy-3-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 15943754
3-[4-(4-ethoxy-3-methylphenyl)sulfonylpiperazin-1-yl]-6-methylpyridazine
CID 122341352
ethyl 4-(3-methyl-4-propoxyphenyl)sulfonylpiperazine-1-carboxylate
CID 6472617

Frequently Asked Questions

What is the IUPAC name of 1-(4-butoxy-3-methylphenyl)sulfonyl-4-(2-ethoxyphenyl)piperazine?
The IUPAC name of 1-(4-butoxy-3-methylphenyl)sulfonyl-4-(2-ethoxyphenyl)piperazine (CID 100671557) is 1-(4-butoxy-3-methylphenyl)sulfonyl-4-(2-ethoxyphenyl)piperazine.
What is the SMILES notation for 1-(4-butoxy-3-methylphenyl)sulfonyl-4-(2-ethoxyphenyl)piperazine?
The canonical SMILES for 1-(4-butoxy-3-methylphenyl)sulfonyl-4-(2-ethoxyphenyl)piperazine is CCCCOc1ccc(S(=O)(=O)N2CCN(c3ccccc3OCC)CC2)cc1C.
What is the InChIKey of 1-(4-butoxy-3-methylphenyl)sulfonyl-4-(2-ethoxyphenyl)piperazine?
The InChIKey is CVNDXSRJTNHHBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O4S/c1-4-6-17-29-22-12-11-20(18-19(22)3)30(26,27)25-15-13-24(14-16-25)21-9-7-8-10-23(21)28-5-2/h7-12,18H,4-6,13-17H2,1-3H3.
What are the key properties of 1-(4-butoxy-3-methylphenyl)sulfonyl-4-(2-ethoxyphenyl)piperazine?
1-(4-butoxy-3-methylphenyl)sulfonyl-4-(2-ethoxyphenyl)piperazine has a molecular weight of 432.59 g/mol, XLogP of 4.08, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butoxy-3-methylphenyl)sulfonyl-4-(2-ethoxyphenyl)piperazine is sourced from PubChem (CID 100671557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).