1-(4-ethoxyphenyl)sulfonyl-4-[(4-methoxyphenyl)methyl]piperazine

C20H26N2O4S — CID 38253871

IUPAC1-(4-ethoxyphenyl)sulfonyl-4-[(4-methoxyphenyl)methyl]piperazine
SMILESCCOc1ccc(S(=O)(=O)N2CCN(Cc3ccc(OC)cc3)CC2)cc1
InChIInChI=1S/C20H26N2O4S/c1-3-26-19-8-10-20(11-9-19)27(23,24)22-14-12-21(13-15-22)16-17-4-6-18(25-2)7-5-17/h4-11H,3,12-16H2,1-2H3
InChIKeyJDOJSELROIOCCJ-UHFFFAOYSA-N
MW390.51 g/mol
LogP2.60
Rot. Bonds7

About 1-(4-ethoxyphenyl)sulfonyl-4-[(4-methoxyphenyl)methyl]piperazine

1-(4-ethoxyphenyl)sulfonyl-4-[(4-methoxyphenyl)methyl]piperazine (PubChem CID 38253871) has the molecular formula C20H26N2O4S and a molecular weight of 390.51 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)sulfonyl-4-[(4-methoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)sulfonyl-4-[(4-methoxyphenyl)methyl]piperazine
PubChem CID38253871
Molecular FormulaC20H26N2O4S
Molecular Weight390.51 g/mol
Exact Mass390.16
IUPAC Name1-(4-ethoxyphenyl)sulfonyl-4-[(4-methoxyphenyl)methyl]piperazine
SMILESCCOc1ccc(S(=O)(=O)N2CCN(Cc3ccc(OC)cc3)CC2)cc1
InChIInChI=1S/C20H26N2O4S/c1-3-26-19-8-10-20(11-9-19)27(23,24)22-14-12-21(13-15-22)16-17-4-6-18(25-2)7-5-17/h4-11H,3,12-16H2,1-2H3
InChIKeyJDOJSELROIOCCJ-UHFFFAOYSA-N
XLogP2.60
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(benzenesulfonyl)-4-[(4-ethoxyphenyl)methyl]piperazine;oxalic acid
CID 17365974
1-[(3-chlorophenyl)methyl]-4-(4-ethoxyphenyl)sulfonylpiperazine
CID 8746856
1-(4-ethoxyphenyl)sulfonyl-4-(4-methoxyphenyl)piperazine
CID 1306330
1-[(4-ethoxyphenyl)methyl]-4-methylsulfonylpiperazine
CID 2881274
1-ethyl-4-(4-methoxyphenyl)sulfonylpiperazine
CID 843240
1-(4-ethylphenyl)sulfonyl-4-(4-methoxyphenyl)sulfonylpiperazine
CID 19684101
1-(1,3-benzodioxol-5-ylmethyl)-4-(4-ethoxyphenyl)sulfonylpiperazine
CID 1085687
2-[[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methyl]-4-(4-methoxyphenyl)-1,3-thiazole
CID 30463697
1-(4-ethoxyphenyl)sulfonyl-4-[(3-fluorophenyl)methyl]piperazine;hydrochloride
CID 17338187
1-(4-methoxyphenyl)sulfonyl-4-[[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepane
CID 24556314
1-(4-methoxyphenyl)sulfonyl-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine
CID 998107
1-(1-ethylpyrazol-4-yl)sulfonyl-4-[(4-methoxyphenyl)methyl]piperazine
CID 17060302

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)sulfonyl-4-[(4-methoxyphenyl)methyl]piperazine?
The IUPAC name of 1-(4-ethoxyphenyl)sulfonyl-4-[(4-methoxyphenyl)methyl]piperazine (CID 38253871) is 1-(4-ethoxyphenyl)sulfonyl-4-[(4-methoxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-(4-ethoxyphenyl)sulfonyl-4-[(4-methoxyphenyl)methyl]piperazine?
The canonical SMILES for 1-(4-ethoxyphenyl)sulfonyl-4-[(4-methoxyphenyl)methyl]piperazine is CCOc1ccc(S(=O)(=O)N2CCN(Cc3ccc(OC)cc3)CC2)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)sulfonyl-4-[(4-methoxyphenyl)methyl]piperazine?
The InChIKey is JDOJSELROIOCCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4S/c1-3-26-19-8-10-20(11-9-19)27(23,24)22-14-12-21(13-15-22)16-17-4-6-18(25-2)7-5-17/h4-11H,3,12-16H2,1-2H3.
What are the key properties of 1-(4-ethoxyphenyl)sulfonyl-4-[(4-methoxyphenyl)methyl]piperazine?
1-(4-ethoxyphenyl)sulfonyl-4-[(4-methoxyphenyl)methyl]piperazine has a molecular weight of 390.51 g/mol, XLogP of 2.60, 7 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)methyl]piperazine is sourced from PubChem (CID 38253871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).