4-[2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]ethoxy]benzenesulfonamide

C20H26ClN3O4S — CID 34704622

IUPAC4-[2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]ethoxy]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(OCCN2CCN(CCOc3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C20H26ClN3O4S/c21-17-1-3-18(4-2-17)27-15-13-23-9-11-24(12-10-23)14-16-28-19-5-7-20(8-6-19)29(22,25)26/h1-8H,9-16H2,(H2,22,25,26)
InChIKeyPBSMJROOEWEILW-UHFFFAOYSA-N
MW439.97 g/mol
LogP2.06
Rot. Bonds9

About 4-[2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]ethoxy]benzenesulfonamide

4-[2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]ethoxy]benzenesulfonamide (PubChem CID 34704622) has the molecular formula C20H26ClN3O4S and a molecular weight of 439.97 g/mol. Its IUPAC name is 4-[2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]ethoxy]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]ethoxy]benzenesulfonamide
PubChem CID34704622
Molecular FormulaC20H26ClN3O4S
Molecular Weight439.97 g/mol
Exact Mass439.13
IUPAC Name4-[2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]ethoxy]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(OCCN2CCN(CCOc3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C20H26ClN3O4S/c21-17-1-3-18(4-2-17)27-15-13-23-9-11-24(12-10-23)14-16-28-19-5-7-20(8-6-19)29(22,25)26/h1-8H,9-16H2,(H2,22,25,26)
InChIKeyPBSMJROOEWEILW-UHFFFAOYSA-N
XLogP2.06
TPSA85.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.97
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]ethoxy]benzenesulfonamide
CID 34933504
4-[2-(4-hydroxy-4-methylpiperidin-1-yl)ethoxy]benzenesulfonamide
CID 80702716
1-[2-(4-chlorophenyl)sulfonylethyl]-4-(2-phenoxyethyl)piperazine
CID 39746922
tert-butyl 4-[2-(4-sulfamoylphenoxy)ethyl]piperazine-1-carboxylate
CID 46594465
4-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethoxy]benzenesulfonamide
CID 78962070
4-[2-(3-aminopiperidin-1-yl)ethoxy]benzenesulfonamide
CID 61295573
4-[2-[4-(ethylaminomethyl)piperidin-1-yl]ethoxy]benzenesulfonamide
CID 119927841
4-[[[4-(3-piperidin-1-ylpropoxy)phenyl]methylamino]methyl]benzenesulfonamide
CID 177234136
methyl 2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]acetate
CID 47014080
4-[2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)ethoxy]benzenesulfonamide;hydrochloride
CID 119927332
4-[[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]methyl]benzamide
CID 34704521
4-[4-[3-(4-cyanophenoxy)propyl]piperazin-1-yl]benzenesulfonamide
CID 78896382

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]ethoxy]benzenesulfonamide?
The IUPAC name of 4-[2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]ethoxy]benzenesulfonamide (CID 34704622) is 4-[2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]ethoxy]benzenesulfonamide.
What is the SMILES notation for 4-[2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]ethoxy]benzenesulfonamide?
The canonical SMILES for 4-[2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]ethoxy]benzenesulfonamide is NS(=O)(=O)c1ccc(OCCN2CCN(CCOc3ccc(Cl)cc3)CC2)cc1.
What is the InChIKey of 4-[2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]ethoxy]benzenesulfonamide?
The InChIKey is PBSMJROOEWEILW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClN3O4S/c21-17-1-3-18(4-2-17)27-15-13-23-9-11-24(12-10-23)14-16-28-19-5-7-20(8-6-19)29(22,25)26/h1-8H,9-16H2,(H2,22,25,26).
What are the key properties of 4-[2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]ethoxy]benzenesulfonamide?
4-[2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]ethoxy]benzenesulfonamide has a molecular weight of 439.97 g/mol, XLogP of 2.06, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]ethoxy]benzenesulfonamide is sourced from PubChem (CID 34704622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).