1-[4-(4-ethoxyphenoxy)phenyl]sulfonylpiperazine

C18H22N2O4S — CID 4738891

IUPAC1-[4-(4-ethoxyphenoxy)phenyl]sulfonylpiperazine
SMILESCCOc1ccc(Oc2ccc(S(=O)(=O)N3CCNCC3)cc2)cc1
InChIInChI=1S/C18H22N2O4S/c1-2-23-15-3-5-16(6-4-15)24-17-7-9-18(10-8-17)25(21,22)20-13-11-19-12-14-20/h3-10,19H,2,11-14H2,1H3
InChIKeyJZXVNFPDHDWOSG-UHFFFAOYSA-N
MW362.45 g/mol
LogP2.47
Rot. Bonds6

About 1-[4-(4-ethoxyphenoxy)phenyl]sulfonylpiperazine

1-[4-(4-ethoxyphenoxy)phenyl]sulfonylpiperazine (PubChem CID 4738891) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is 1-[4-(4-ethoxyphenoxy)phenyl]sulfonylpiperazine.

Molecular Properties

Compound Name1-[4-(4-ethoxyphenoxy)phenyl]sulfonylpiperazine
PubChem CID4738891
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC Name1-[4-(4-ethoxyphenoxy)phenyl]sulfonylpiperazine
SMILESCCOc1ccc(Oc2ccc(S(=O)(=O)N3CCNCC3)cc2)cc1
InChIInChI=1S/C18H22N2O4S/c1-2-23-15-3-5-16(6-4-15)24-17-7-9-18(10-8-17)25(21,22)20-13-11-19-12-14-20/h3-10,19H,2,11-14H2,1H3
InChIKeyJZXVNFPDHDWOSG-UHFFFAOYSA-N
XLogP2.47
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(2-methylpropoxy)phenyl]sulfonylpiperazine
CID 43362237
1-(4-ethoxyphenyl)sulfonyl-4-methylsulfonylpiperazine
CID 2448017
1-[4-(2-ethoxyethoxy)phenyl]sulfonyl-1,4-diazepane;hydrochloride
CID 119963555
1-[4-(4-methoxyphenoxy)phenyl]sulfonyl-1,4-diazepane;hydrochloride
CID 119963371
1-(4-pentoxyphenyl)sulfonyl-1,4-diazepane;hydrochloride
CID 119963409
1-tert-butyl-4-(4-ethoxyphenyl)sulfonylpiperazine
CID 113074890
1-(3-bromo-4-ethoxyphenyl)sulfonylpiperazine
CID 119961758
1-(4-ethoxyphenyl)sulfonyl-4-methylsulfonylpiperidine
CID 90585227
1-(3-ethoxyphenyl)sulfonyl-1,4-diazepane;hydrochloride
CID 120999396
1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 78780224
1-(3,4-diethoxyphenyl)sulfonyl-1,4-diazepane
CID 119963333
1-[4-(3-methylphenoxy)phenyl]sulfonyl-1,4-diazepane
CID 119963151

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-ethoxyphenoxy)phenyl]sulfonylpiperazine?
The IUPAC name of 1-[4-(4-ethoxyphenoxy)phenyl]sulfonylpiperazine (CID 4738891) is 1-[4-(4-ethoxyphenoxy)phenyl]sulfonylpiperazine.
What is the SMILES notation for 1-[4-(4-ethoxyphenoxy)phenyl]sulfonylpiperazine?
The canonical SMILES for 1-[4-(4-ethoxyphenoxy)phenyl]sulfonylpiperazine is CCOc1ccc(Oc2ccc(S(=O)(=O)N3CCNCC3)cc2)cc1.
What is the InChIKey of 1-[4-(4-ethoxyphenoxy)phenyl]sulfonylpiperazine?
The InChIKey is JZXVNFPDHDWOSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S/c1-2-23-15-3-5-16(6-4-15)24-17-7-9-18(10-8-17)25(21,22)20-13-11-19-12-14-20/h3-10,19H,2,11-14H2,1H3.
What are the key properties of 1-[4-(4-ethoxyphenoxy)phenyl]sulfonylpiperazine?
1-[4-(4-ethoxyphenoxy)phenyl]sulfonylpiperazine has a molecular weight of 362.45 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-ethoxyphenoxy)phenyl]sulfonylpiperazine is sourced from PubChem (CID 4738891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).