4-[4-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethoxy]phenyl]sulfonylmorpholine

C22H28ClN3O4S — CID 55471571

IUPAC4-[4-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethoxy]phenyl]sulfonylmorpholine
SMILESO=S(=O)(c1ccc(OCCN2CCN(c3ccccc3Cl)CC2)cc1)N1CCOCC1
InChIInChI=1S/C22H28ClN3O4S/c23-21-3-1-2-4-22(21)25-11-9-24(10-12-25)13-18-30-19-5-7-20(8-6-19)31(27,28)26-14-16-29-17-15-26/h1-8H,9-18H2
InChIKeyHRSRIRDCGQRYDH-UHFFFAOYSA-N
MW466.00 g/mol
LogP2.56
Rot. Bonds7

About 4-[4-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethoxy]phenyl]sulfonylmorpholine

4-[4-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethoxy]phenyl]sulfonylmorpholine (PubChem CID 55471571) has the molecular formula C22H28ClN3O4S and a molecular weight of 466.00 g/mol. Its IUPAC name is 4-[4-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethoxy]phenyl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[4-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethoxy]phenyl]sulfonylmorpholine
PubChem CID55471571
Molecular FormulaC22H28ClN3O4S
Molecular Weight466.00 g/mol
Exact Mass465.15
IUPAC Name4-[4-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethoxy]phenyl]sulfonylmorpholine
SMILESO=S(=O)(c1ccc(OCCN2CCN(c3ccccc3Cl)CC2)cc1)N1CCOCC1
InChIInChI=1S/C22H28ClN3O4S/c23-21-3-1-2-4-22(21)25-11-9-24(10-12-25)13-18-30-19-5-7-20(8-6-19)31(27,28)26-14-16-29-17-15-26/h1-8H,9-18H2
InChIKeyHRSRIRDCGQRYDH-UHFFFAOYSA-N
XLogP2.56
TPSA62.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.00
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[4-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethoxy]phenyl]sulfonylmorpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[4-[2-(4-chlorophenoxy)ethoxy]phenyl]sulfonylmorpholine
CID 34198649
4-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethoxy]aniline;dihydrochloride
CID 10222918
(2S)-1-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-3-[4-(2-chlorophenyl)piperazin-1-yl]propan-2-ol
CID 98387923
(2R)-1-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-3-[4-(2-chlorophenyl)piperazin-1-yl]propan-2-ol
CID 98387924
4-[4-(2-chlorophenoxy)phenyl]sulfonylmorpholine
CID 2940068
4-[4-(3-benzylsulfanylpropoxy)phenyl]sulfonylmorpholine
CID 75393020
4-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethoxy]benzene-1,2-diamine
CID 11473477
4-[4-[2-(2,6-dichlorophenoxy)ethyl]piperazin-1-yl]sulfonylmorpholine
CID 36931838
3-(4-morpholin-4-ylsulfonylphenoxy)propanoic acid
CID 43314386
hydron;1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(4-morpholin-4-ylsulfonylphenoxy)propan-2-ol;chloride
CID 2998562
4-[[6-[4-[3-(4-fluorophenoxy)propyl]piperazin-1-yl]-3-pyridinyl]sulfonyl]morpholine
CID 24595663
4-[[6-[4-[2-(3,5-dimethylphenoxy)ethyl]piperazin-1-yl]-3-pyridinyl]sulfonyl]morpholine
CID 24595656

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethoxy]phenyl]sulfonylmorpholine?
The IUPAC name of 4-[4-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethoxy]phenyl]sulfonylmorpholine (CID 55471571) is 4-[4-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethoxy]phenyl]sulfonylmorpholine.
What is the SMILES notation for 4-[4-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethoxy]phenyl]sulfonylmorpholine?
The canonical SMILES for 4-[4-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethoxy]phenyl]sulfonylmorpholine is O=S(=O)(c1ccc(OCCN2CCN(c3ccccc3Cl)CC2)cc1)N1CCOCC1.
What is the InChIKey of 4-[4-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethoxy]phenyl]sulfonylmorpholine?
The InChIKey is HRSRIRDCGQRYDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28ClN3O4S/c23-21-3-1-2-4-22(21)25-11-9-24(10-12-25)13-18-30-19-5-7-20(8-6-19)31(27,28)26-14-16-29-17-15-26/h1-8H,9-18H2.
What are the key properties of 4-[4-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethoxy]phenyl]sulfonylmorpholine?
4-[4-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethoxy]phenyl]sulfonylmorpholine has a molecular weight of 466.00 g/mol, XLogP of 2.56, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethoxy]phenyl]sulfonylmorpholine is sourced from PubChem (CID 55471571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).