1-(4-ethoxyphenyl)sulfonyl-4-(4-methoxyphenyl)piperazine

C19H24N2O4S — CID 1306330

IUPAC1-(4-ethoxyphenyl)sulfonyl-4-(4-methoxyphenyl)piperazine
SMILESCCOc1ccc(S(=O)(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1
InChIInChI=1S/C19H24N2O4S/c1-3-25-18-8-10-19(11-9-18)26(22,23)21-14-12-20(13-15-21)16-4-6-17(24-2)7-5-16/h4-11H,3,12-15H2,1-2H3
InChIKeyHPQYNVIGPLJRKK-UHFFFAOYSA-N
MW376.48 g/mol
LogP2.60
Rot. Bonds6

About 1-(4-ethoxyphenyl)sulfonyl-4-(4-methoxyphenyl)piperazine

1-(4-ethoxyphenyl)sulfonyl-4-(4-methoxyphenyl)piperazine (PubChem CID 1306330) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)sulfonyl-4-(4-methoxyphenyl)piperazine.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)sulfonyl-4-(4-methoxyphenyl)piperazine
PubChem CID1306330
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC Name1-(4-ethoxyphenyl)sulfonyl-4-(4-methoxyphenyl)piperazine
SMILESCCOc1ccc(S(=O)(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1
InChIInChI=1S/C19H24N2O4S/c1-3-25-18-8-10-19(11-9-18)26(22,23)21-14-12-20(13-15-21)16-4-6-17(24-2)7-5-16/h4-11H,3,12-15H2,1-2H3
InChIKeyHPQYNVIGPLJRKK-UHFFFAOYSA-N
XLogP2.60
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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
ethyl 2-[4-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylphenoxy]acetate
CID 3153448
1-(4-methoxyphenyl)-4-(4-methylphenyl)sulfonylpiperazine
CID 798545
1-(4-chlorophenyl)sulfonyl-4-(4-methoxyphenyl)piperazine
CID 1160819
1-(4-ethoxyphenyl)sulfonyl-4-[(4-methoxyphenyl)methyl]piperazine
CID 38253871
1-(4-methoxyphenyl)-4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]sulfonylpiperazine
CID 1166949
1-(4-ethoxyphenyl)sulfonyl-4-methylsulfonylpiperazine
CID 2448017
1-(4-methoxyphenyl)-4-[4-(2-methylpropyl)phenyl]sulfonylpiperazine;hydrochloride
CID 146051612
1-(4-ethoxyphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 1098869
1-(3,4-dimethylphenyl)sulfonyl-4-(4-methoxyphenyl)piperazine
CID 2478081
1-(4-butoxy-3-methylphenyl)sulfonyl-4-(4-methoxyphenyl)piperazine
CID 35203146
5-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]pyridine-2-carbonitrile
CID 133352225

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)sulfonyl-4-(4-methoxyphenyl)piperazine?
The IUPAC name of 1-(4-ethoxyphenyl)sulfonyl-4-(4-methoxyphenyl)piperazine (CID 1306330) is 1-(4-ethoxyphenyl)sulfonyl-4-(4-methoxyphenyl)piperazine.
What is the SMILES notation for 1-(4-ethoxyphenyl)sulfonyl-4-(4-methoxyphenyl)piperazine?
The canonical SMILES for 1-(4-ethoxyphenyl)sulfonyl-4-(4-methoxyphenyl)piperazine is CCOc1ccc(S(=O)(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)sulfonyl-4-(4-methoxyphenyl)piperazine?
The InChIKey is HPQYNVIGPLJRKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4S/c1-3-25-18-8-10-19(11-9-18)26(22,23)21-14-12-20(13-15-21)16-4-6-17(24-2)7-5-16/h4-11H,3,12-15H2,1-2H3.
What are the key properties of 1-(4-ethoxyphenyl)sulfonyl-4-(4-methoxyphenyl)piperazine?
1-(4-ethoxyphenyl)sulfonyl-4-(4-methoxyphenyl)piperazine has a molecular weight of 376.48 g/mol, XLogP of 2.60, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)sulfonyl-4-(4-methoxyphenyl)piperazine is sourced from PubChem (CID 1306330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).