1-(2-butoxy-5-tert-butylphenyl)sulfonyl-4-phenylpiperazine

C24H34N2O3S — CID 16645141

IUPAC1-(2-butoxy-5-tert-butylphenyl)sulfonyl-4-phenylpiperazine
SMILESCCCCOc1ccc(C(C)(C)C)cc1S(=O)(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C24H34N2O3S/c1-5-6-18-29-22-13-12-20(24(2,3)4)19-23(22)30(27,28)26-16-14-25(15-17-26)21-10-8-7-9-11-21/h7-13,19H,5-6,14-18H2,1-4H3
InChIKeyINAWOZDTKGVVGX-UHFFFAOYSA-N
MW430.61 g/mol
LogP4.67
Rot. Bonds7

About 1-(2-butoxy-5-tert-butylphenyl)sulfonyl-4-phenylpiperazine

1-(2-butoxy-5-tert-butylphenyl)sulfonyl-4-phenylpiperazine (PubChem CID 16645141) has the molecular formula C24H34N2O3S and a molecular weight of 430.61 g/mol. Its IUPAC name is 1-(2-butoxy-5-tert-butylphenyl)sulfonyl-4-phenylpiperazine.

Molecular Properties

Compound Name1-(2-butoxy-5-tert-butylphenyl)sulfonyl-4-phenylpiperazine
PubChem CID16645141
Molecular FormulaC24H34N2O3S
Molecular Weight430.61 g/mol
Exact Mass430.23
IUPAC Name1-(2-butoxy-5-tert-butylphenyl)sulfonyl-4-phenylpiperazine
SMILESCCCCOc1ccc(C(C)(C)C)cc1S(=O)(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C24H34N2O3S/c1-5-6-18-29-22-13-12-20(24(2,3)4)19-23(22)30(27,28)26-16-14-25(15-17-26)21-10-8-7-9-11-21/h7-13,19H,5-6,14-18H2,1-4H3
InChIKeyINAWOZDTKGVVGX-UHFFFAOYSA-N
XLogP4.67
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.61
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(5-tert-butyl-2-ethoxyphenyl)sulfonyl-4-(2,3-dimethylphenyl)piperazine
CID 91669913
1-(2-methoxy-5-methylphenyl)sulfonyl-4-phenylpiperazine
CID 775526
1-(5-fluoro-2-methoxyphenyl)sulfonyl-4-phenylpiperazine
CID 1085531
1-(4-butoxy-3-methylphenyl)sulfonyl-4-(4-methoxyphenyl)piperazine
CID 35203146
2-[(2-butoxy-5-tert-butylphenyl)sulfonylamino]benzoic acid
CID 16645134
1-(5-tert-butyl-2-methoxyphenyl)sulfonylpyrrolidine
CID 935087
1-(4-butoxy-3-methylphenyl)sulfonyl-4-(3-chloro-4-methylphenyl)piperazine
CID 91669896
5-tert-butyl-N-[2-[4-(5-tert-butyl-2-ethoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-2-ethoxybenzenesulfonamide
CID 91670274
4-(2-butoxy-4,5-dimethylphenyl)sulfonylmorpholine
CID 27261564
1-(2,5-dimethoxyphenyl)sulfonyl-4-(3-methoxyphenyl)piperazine
CID 3853607
1-(4-butoxy-3-methylphenyl)sulfonyl-4-(2-ethoxyphenyl)piperazine
CID 100671557
1-(4-butoxy-3-methylphenyl)sulfonyl-4-(3,4-dichlorophenyl)piperazine
CID 91670225

Frequently Asked Questions

What is the IUPAC name of 1-(2-butoxy-5-tert-butylphenyl)sulfonyl-4-phenylpiperazine?
The IUPAC name of 1-(2-butoxy-5-tert-butylphenyl)sulfonyl-4-phenylpiperazine (CID 16645141) is 1-(2-butoxy-5-tert-butylphenyl)sulfonyl-4-phenylpiperazine.
What is the SMILES notation for 1-(2-butoxy-5-tert-butylphenyl)sulfonyl-4-phenylpiperazine?
The canonical SMILES for 1-(2-butoxy-5-tert-butylphenyl)sulfonyl-4-phenylpiperazine is CCCCOc1ccc(C(C)(C)C)cc1S(=O)(=O)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 1-(2-butoxy-5-tert-butylphenyl)sulfonyl-4-phenylpiperazine?
The InChIKey is INAWOZDTKGVVGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O3S/c1-5-6-18-29-22-13-12-20(24(2,3)4)19-23(22)30(27,28)26-16-14-25(15-17-26)21-10-8-7-9-11-21/h7-13,19H,5-6,14-18H2,1-4H3.
What are the key properties of 1-(2-butoxy-5-tert-butylphenyl)sulfonyl-4-phenylpiperazine?
1-(2-butoxy-5-tert-butylphenyl)sulfonyl-4-phenylpiperazine has a molecular weight of 430.61 g/mol, XLogP of 4.67, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-butoxy-5-tert-butylphenyl)sulfonyl-4-phenylpiperazine is sourced from PubChem (CID 16645141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).