1-[2-(2-chlorophenoxy)ethyl]-4-(2-chlorophenyl)sulfonylpiperazine

C18H20Cl2N2O3S — CID 9391115

IUPAC1-[2-(2-chlorophenoxy)ethyl]-4-(2-chlorophenyl)sulfonylpiperazine
SMILESO=S(=O)(c1ccccc1Cl)N1CCN(CCOc2ccccc2Cl)CC1
InChIInChI=1S/C18H20Cl2N2O3S/c19-15-5-1-3-7-17(15)25-14-13-21-9-11-22(12-10-21)26(23,24)18-8-4-2-6-16(18)20/h1-8H,9-14H2
InChIKeyXWOXOPRTLIIOBW-UHFFFAOYSA-N
MW415.34 g/mol
LogP3.38
Rot. Bonds6

About 1-[2-(2-chlorophenoxy)ethyl]-4-(2-chlorophenyl)sulfonylpiperazine

1-[2-(2-chlorophenoxy)ethyl]-4-(2-chlorophenyl)sulfonylpiperazine (PubChem CID 9391115) has the molecular formula C18H20Cl2N2O3S and a molecular weight of 415.34 g/mol. Its IUPAC name is 1-[2-(2-chlorophenoxy)ethyl]-4-(2-chlorophenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-[2-(2-chlorophenoxy)ethyl]-4-(2-chlorophenyl)sulfonylpiperazine
PubChem CID9391115
Molecular FormulaC18H20Cl2N2O3S
Molecular Weight415.34 g/mol
Exact Mass414.06
IUPAC Name1-[2-(2-chlorophenoxy)ethyl]-4-(2-chlorophenyl)sulfonylpiperazine
SMILESO=S(=O)(c1ccccc1Cl)N1CCN(CCOc2ccccc2Cl)CC1
InChIInChI=1S/C18H20Cl2N2O3S/c19-15-5-1-3-7-17(15)25-14-13-21-9-11-22(12-10-21)26(23,24)18-8-4-2-6-16(18)20/h1-8H,9-14H2
InChIKeyXWOXOPRTLIIOBW-UHFFFAOYSA-N
XLogP3.38
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.34
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]sulfonylbenzonitrile
CID 35904196
1-[3-(2-chlorophenoxy)propyl]-4-(3,4-dichlorophenyl)sulfonylpiperazine
CID 2215645
1-(2-chlorophenyl)sulfonyl-4-pentylpiperazine
CID 45369123
1-(2,4-difluorophenyl)sulfonyl-4-[2-(2-fluorophenoxy)ethyl]piperazine
CID 8771334
1-[2-(2-methylphenoxy)ethyl]-4-(2-nitrophenyl)sulfonylpiperazine
CID 8746545
[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-phenylmethanone
CID 78787888
1-(4-fluoro-2-methylphenyl)sulfonyl-4-[2-(2-methylphenoxy)ethyl]piperazine
CID 110410093
2-[4-[2-(2-nitrophenoxy)ethyl]piperazin-1-yl]sulfonylbenzonitrile
CID 55831268
2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-1-piperidin-1-ylethanone
CID 47014936
1-[3-(2-chlorophenoxy)propyl]piperidine
CID 2058914
3-amino-1-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]propan-1-one;dihydrochloride
CID 119839360
1-[2-(4-methylphenoxy)ethyl]-4-(2-methylphenyl)sulfonylpiperazine
CID 110638181

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chlorophenoxy)ethyl]-4-(2-chlorophenyl)sulfonylpiperazine?
The IUPAC name of 1-[2-(2-chlorophenoxy)ethyl]-4-(2-chlorophenyl)sulfonylpiperazine (CID 9391115) is 1-[2-(2-chlorophenoxy)ethyl]-4-(2-chlorophenyl)sulfonylpiperazine.
What is the SMILES notation for 1-[2-(2-chlorophenoxy)ethyl]-4-(2-chlorophenyl)sulfonylpiperazine?
The canonical SMILES for 1-[2-(2-chlorophenoxy)ethyl]-4-(2-chlorophenyl)sulfonylpiperazine is O=S(=O)(c1ccccc1Cl)N1CCN(CCOc2ccccc2Cl)CC1.
What is the InChIKey of 1-[2-(2-chlorophenoxy)ethyl]-4-(2-chlorophenyl)sulfonylpiperazine?
The InChIKey is XWOXOPRTLIIOBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N2O3S/c19-15-5-1-3-7-17(15)25-14-13-21-9-11-22(12-10-21)26(23,24)18-8-4-2-6-16(18)20/h1-8H,9-14H2.
What are the key properties of 1-[2-(2-chlorophenoxy)ethyl]-4-(2-chlorophenyl)sulfonylpiperazine?
1-[2-(2-chlorophenoxy)ethyl]-4-(2-chlorophenyl)sulfonylpiperazine has a molecular weight of 415.34 g/mol, XLogP of 3.38, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chlorophenoxy)ethyl]-4-(2-chlorophenyl)sulfonylpiperazine is sourced from PubChem (CID 9391115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).