4-[4-[2-(2,6-dichlorophenoxy)ethyl]piperazin-1-yl]sulfonylmorpholine

C16H23Cl2N3O4S — CID 36931838

IUPAC4-[4-[2-(2,6-dichlorophenoxy)ethyl]piperazin-1-yl]sulfonylmorpholine
SMILESO=S(=O)(N1CCOCC1)N1CCN(CCOc2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C16H23Cl2N3O4S/c17-14-2-1-3-15(18)16(14)25-13-8-19-4-6-20(7-5-19)26(22,23)21-9-11-24-12-10-21/h1-3H,4-13H2
InChIKeyUKJFVQPLTKLJOU-UHFFFAOYSA-N
MW424.35 g/mol
LogP1.57
Rot. Bonds6

About 4-[4-[2-(2,6-dichlorophenoxy)ethyl]piperazin-1-yl]sulfonylmorpholine

4-[4-[2-(2,6-dichlorophenoxy)ethyl]piperazin-1-yl]sulfonylmorpholine (PubChem CID 36931838) has the molecular formula C16H23Cl2N3O4S and a molecular weight of 424.35 g/mol. Its IUPAC name is 4-[4-[2-(2,6-dichlorophenoxy)ethyl]piperazin-1-yl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[4-[2-(2,6-dichlorophenoxy)ethyl]piperazin-1-yl]sulfonylmorpholine
PubChem CID36931838
Molecular FormulaC16H23Cl2N3O4S
Molecular Weight424.35 g/mol
Exact Mass423.08
IUPAC Name4-[4-[2-(2,6-dichlorophenoxy)ethyl]piperazin-1-yl]sulfonylmorpholine
SMILESO=S(=O)(N1CCOCC1)N1CCN(CCOc2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C16H23Cl2N3O4S/c17-14-2-1-3-15(18)16(14)25-13-8-19-4-6-20(7-5-19)26(22,23)21-9-11-24-12-10-21/h1-3H,4-13H2
InChIKeyUKJFVQPLTKLJOU-UHFFFAOYSA-N
XLogP1.57
TPSA62.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.35
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethoxy]phenyl]sulfonylmorpholine
CID 55471571
4-[2-(4-chloronaphthalen-1-yl)oxyethyl]morpholine
CID 868523
4-[2-(2,3-dichlorophenoxy)ethyl]morpholine
CID 869488
4-[4-[2-(2,6-dichlorophenoxy)ethyl]piperazin-1-yl]phenol
CID 8690234
1-[2-(2,6-dichlorophenoxy)ethyl]azetidin-3-amine
CID 65249570
1-[4-[2-(3-chlorophenoxy)ethyl]piperazin-1-yl]sulfonyl-4-methylpiperazine
CID 60500567
1-[2-[2-(2,6-dichlorophenoxy)ethoxy]ethyl]-4-methylpiperazine
CID 30075930
1-[2-(2,6-dichlorophenoxy)ethyl]-1,4-diazepane
CID 43162548
1-[2-(2-chlorophenoxy)ethyl]-4-(2-chlorophenyl)sulfonylpiperazine
CID 9391115
4-[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]sulfonylmorpholine
CID 39998547
(E)-3-[2-chloro-6-(2-morpholin-4-ylethoxy)phenyl]prop-2-enoic acid
CID 114321214
3-chloro-2-(2-piperidin-1-ylethoxy)benzoic acid
CID 22442061

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(2,6-dichlorophenoxy)ethyl]piperazin-1-yl]sulfonylmorpholine?
The IUPAC name of 4-[4-[2-(2,6-dichlorophenoxy)ethyl]piperazin-1-yl]sulfonylmorpholine (CID 36931838) is 4-[4-[2-(2,6-dichlorophenoxy)ethyl]piperazin-1-yl]sulfonylmorpholine.
What is the SMILES notation for 4-[4-[2-(2,6-dichlorophenoxy)ethyl]piperazin-1-yl]sulfonylmorpholine?
The canonical SMILES for 4-[4-[2-(2,6-dichlorophenoxy)ethyl]piperazin-1-yl]sulfonylmorpholine is O=S(=O)(N1CCOCC1)N1CCN(CCOc2c(Cl)cccc2Cl)CC1.
What is the InChIKey of 4-[4-[2-(2,6-dichlorophenoxy)ethyl]piperazin-1-yl]sulfonylmorpholine?
The InChIKey is UKJFVQPLTKLJOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23Cl2N3O4S/c17-14-2-1-3-15(18)16(14)25-13-8-19-4-6-20(7-5-19)26(22,23)21-9-11-24-12-10-21/h1-3H,4-13H2.
What are the key properties of 4-[4-[2-(2,6-dichlorophenoxy)ethyl]piperazin-1-yl]sulfonylmorpholine?
4-[4-[2-(2,6-dichlorophenoxy)ethyl]piperazin-1-yl]sulfonylmorpholine has a molecular weight of 424.35 g/mol, XLogP of 1.57, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(2,6-dichlorophenoxy)ethyl]piperazin-1-yl]sulfonylmorpholine is sourced from PubChem (CID 36931838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).