4-[4-[2-(4-chlorophenoxy)ethoxy]phenyl]sulfonylmorpholine

C18H20ClNO5S — CID 34198649

IUPAC4-[4-[2-(4-chlorophenoxy)ethoxy]phenyl]sulfonylmorpholine
SMILESO=S(=O)(c1ccc(OCCOc2ccc(Cl)cc2)cc1)N1CCOCC1
InChIInChI=1S/C18H20ClNO5S/c19-15-1-3-16(4-2-15)24-13-14-25-17-5-7-18(8-6-17)26(21,22)20-9-11-23-12-10-20/h1-8H,9-14H2
InChIKeyWSUCAUQNAUPWEV-UHFFFAOYSA-N
MW397.88 g/mol
LogP2.82
Rot. Bonds7

About 4-[4-[2-(4-chlorophenoxy)ethoxy]phenyl]sulfonylmorpholine

4-[4-[2-(4-chlorophenoxy)ethoxy]phenyl]sulfonylmorpholine (PubChem CID 34198649) has the molecular formula C18H20ClNO5S and a molecular weight of 397.88 g/mol. Its IUPAC name is 4-[4-[2-(4-chlorophenoxy)ethoxy]phenyl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[4-[2-(4-chlorophenoxy)ethoxy]phenyl]sulfonylmorpholine
PubChem CID34198649
Molecular FormulaC18H20ClNO5S
Molecular Weight397.88 g/mol
Exact Mass397.08
IUPAC Name4-[4-[2-(4-chlorophenoxy)ethoxy]phenyl]sulfonylmorpholine
SMILESO=S(=O)(c1ccc(OCCOc2ccc(Cl)cc2)cc1)N1CCOCC1
InChIInChI=1S/C18H20ClNO5S/c19-15-1-3-16(4-2-15)24-13-14-25-17-5-7-18(8-6-17)26(21,22)20-9-11-23-12-10-20/h1-8H,9-14H2
InChIKeyWSUCAUQNAUPWEV-UHFFFAOYSA-N
XLogP2.82
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.88
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-morpholin-4-ylsulfonylphenoxy)ethyl 2-(4-chlorophenyl)sulfanylacetate
CID 26970218
3-(4-morpholin-4-ylsulfonylphenoxy)propanoic acid
CID 43314386
2-(4-chlorophenyl)sulfanyl-N-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]propanamide
CID 133234759
4-[4-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethoxy]phenyl]sulfonylmorpholine
CID 55471571
3-chloro-N'-[2-(4-morpholin-4-ylsulfonylphenoxy)ethoxy]benzenecarboximidamide
CID 55464238
2-(4-morpholin-4-ylsulfonylphenoxy)ethyl cyclobutanecarboxylate
CID 55449133
2-(4-methylphenoxy)ethyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate
CID 2495575
4-[4-[(4-iodophenoxy)methyl]phenyl]sulfonylmorpholine
CID 1300600
4-[4-[(4-methylphenyl)methoxy]phenyl]sulfonylmorpholine
CID 9331341
4-[4-(3-benzylsulfanylpropoxy)phenyl]sulfonylmorpholine
CID 75393020
2-(4-chlorophenoxy)ethyl 3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoate
CID 38130843
N-ethyl-N-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]butan-1-amine
CID 55569720

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(4-chlorophenoxy)ethoxy]phenyl]sulfonylmorpholine?
The IUPAC name of 4-[4-[2-(4-chlorophenoxy)ethoxy]phenyl]sulfonylmorpholine (CID 34198649) is 4-[4-[2-(4-chlorophenoxy)ethoxy]phenyl]sulfonylmorpholine.
What is the SMILES notation for 4-[4-[2-(4-chlorophenoxy)ethoxy]phenyl]sulfonylmorpholine?
The canonical SMILES for 4-[4-[2-(4-chlorophenoxy)ethoxy]phenyl]sulfonylmorpholine is O=S(=O)(c1ccc(OCCOc2ccc(Cl)cc2)cc1)N1CCOCC1.
What is the InChIKey of 4-[4-[2-(4-chlorophenoxy)ethoxy]phenyl]sulfonylmorpholine?
The InChIKey is WSUCAUQNAUPWEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO5S/c19-15-1-3-16(4-2-15)24-13-14-25-17-5-7-18(8-6-17)26(21,22)20-9-11-23-12-10-20/h1-8H,9-14H2.
What are the key properties of 4-[4-[2-(4-chlorophenoxy)ethoxy]phenyl]sulfonylmorpholine?
4-[4-[2-(4-chlorophenoxy)ethoxy]phenyl]sulfonylmorpholine has a molecular weight of 397.88 g/mol, XLogP of 2.82, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(4-chlorophenoxy)ethoxy]phenyl]sulfonylmorpholine is sourced from PubChem (CID 34198649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).