1-(4-methoxyphenyl)-4-(4-methylphenyl)sulfonylpiperazine

C18H22N2O3S — CID 798545

IUPAC1-(4-methoxyphenyl)-4-(4-methylphenyl)sulfonylpiperazine
SMILESCOc1ccc(N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1
InChIInChI=1S/C18H22N2O3S/c1-15-3-9-18(10-4-15)24(21,22)20-13-11-19(12-14-20)16-5-7-17(23-2)8-6-16/h3-10H,11-14H2,1-2H3
InChIKeyAFCUSINUINYQAT-UHFFFAOYSA-N
MW346.45 g/mol
LogP2.51
Rot. Bonds4

About 1-(4-methoxyphenyl)-4-(4-methylphenyl)sulfonylpiperazine

1-(4-methoxyphenyl)-4-(4-methylphenyl)sulfonylpiperazine (PubChem CID 798545) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-4-(4-methylphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-4-(4-methylphenyl)sulfonylpiperazine
PubChem CID798545
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name1-(4-methoxyphenyl)-4-(4-methylphenyl)sulfonylpiperazine
SMILESCOc1ccc(N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1
InChIInChI=1S/C18H22N2O3S/c1-15-3-9-18(10-4-15)24(21,22)20-13-11-19(12-14-20)16-5-7-17(23-2)8-6-16/h3-10H,11-14H2,1-2H3
InChIKeyAFCUSINUINYQAT-UHFFFAOYSA-N
XLogP2.51
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-(4-methoxyphenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperazine
CID 1168311
1-(4-chlorophenyl)sulfonyl-4-(4-methoxyphenyl)piperazine
CID 1160819
1-(4-methoxyphenyl)-4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]sulfonylpiperazine
CID 1166949
1-(4-ethoxyphenyl)sulfonyl-4-(4-methoxyphenyl)piperazine
CID 1306330
1-(3,4-dimethylphenyl)sulfonyl-4-(4-methoxyphenyl)piperazine
CID 2478081
1-(3,4-dimethoxyphenyl)sulfonyl-4-(4-methylphenyl)piperazine
CID 1279364
1-(4-methoxyphenyl)-4-[4-(2-methylpropyl)phenyl]sulfonylpiperazine;hydrochloride
CID 146051612
1-(3-chloro-4-methoxyphenyl)-4-(4-methylphenyl)sulfonylpiperazine
CID 113077138
ethyl 2-[4-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylphenoxy]acetate
CID 3153448
1-(3-chloro-4-fluorophenyl)sulfonyl-4-(4-methoxyphenyl)piperazine
CID 3756264
4-(4-methoxyphenyl)-6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyrimidine
CID 90517128
1-(4-methylphenyl)-4-(4-nitrophenyl)sulfonylpiperazine
CID 154576516

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-4-(4-methylphenyl)sulfonylpiperazine?
The IUPAC name of 1-(4-methoxyphenyl)-4-(4-methylphenyl)sulfonylpiperazine (CID 798545) is 1-(4-methoxyphenyl)-4-(4-methylphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-(4-methoxyphenyl)-4-(4-methylphenyl)sulfonylpiperazine?
The canonical SMILES for 1-(4-methoxyphenyl)-4-(4-methylphenyl)sulfonylpiperazine is COc1ccc(N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-4-(4-methylphenyl)sulfonylpiperazine?
The InChIKey is AFCUSINUINYQAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-15-3-9-18(10-4-15)24(21,22)20-13-11-19(12-14-20)16-5-7-17(23-2)8-6-16/h3-10H,11-14H2,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-4-(4-methylphenyl)sulfonylpiperazine?
1-(4-methoxyphenyl)-4-(4-methylphenyl)sulfonylpiperazine has a molecular weight of 346.45 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-4-(4-methylphenyl)sulfonylpiperazine is sourced from PubChem (CID 798545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).