4-[4-[2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylethoxy]phenyl]sulfonylmorpholine

C21H22ClN3O4S2 — CID 26021608

IUPAC4-[4-[2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylethoxy]phenyl]sulfonylmorpholine
SMILESO=S(=O)(c1ccc(OCCSc2nccn2-c2cccc(Cl)c2)cc1)N1CCOCC1
InChIInChI=1S/C21H22ClN3O4S2/c22-17-2-1-3-18(16-17)25-9-8-23-21(25)30-15-14-29-19-4-6-20(7-5-19)31(26,27)24-10-12-28-13-11-24/h1-9,16H,10-15H2
InChIKeyVNHLZCXXFWKKSC-UHFFFAOYSA-N
MW480.01 g/mol
LogP3.72
Rot. Bonds8

About 4-[4-[2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylethoxy]phenyl]sulfonylmorpholine

4-[4-[2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylethoxy]phenyl]sulfonylmorpholine (PubChem CID 26021608) has the molecular formula C21H22ClN3O4S2 and a molecular weight of 480.01 g/mol. Its IUPAC name is 4-[4-[2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylethoxy]phenyl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[4-[2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylethoxy]phenyl]sulfonylmorpholine
PubChem CID26021608
Molecular FormulaC21H22ClN3O4S2
Molecular Weight480.01 g/mol
Exact Mass479.07
IUPAC Name4-[4-[2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylethoxy]phenyl]sulfonylmorpholine
SMILESO=S(=O)(c1ccc(OCCSc2nccn2-c2cccc(Cl)c2)cc1)N1CCOCC1
InChIInChI=1S/C21H22ClN3O4S2/c22-17-2-1-3-18(16-17)25-9-8-23-21(25)30-15-14-29-19-4-6-20(7-5-19)31(26,27)24-10-12-28-13-11-24/h1-9,16H,10-15H2
InChIKeyVNHLZCXXFWKKSC-UHFFFAOYSA-N
XLogP3.72
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.01
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-[4-[2-(4-chlorophenoxy)ethoxy]phenyl]sulfonylmorpholine
CID 34198649
3-chloro-N'-[2-(4-morpholin-4-ylsulfonylphenoxy)ethoxy]benzenecarboximidamide
CID 55464238
4-[3-[4-[(2S)-butan-2-yl]-5-[2-(3-chlorophenoxy)ethylsulfanyl]-1,2,4-triazol-3-yl]phenyl]sulfonylmorpholine
CID 2112964
2-(4-morpholin-4-ylsulfonylphenoxy)ethyl 2-(4-chlorophenyl)sulfanylacetate
CID 26970218
4-[[6-[2-(3-methylphenoxy)ethylsulfanyl]-3-pyridinyl]sulfonyl]morpholine
CID 7570076
4-[4-(3-benzylsulfanylpropoxy)phenyl]sulfonylmorpholine
CID 75393020
3-(4-morpholin-4-ylsulfonylphenoxy)propanoic acid
CID 43314386
4-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylbutanenitrile
CID 134010953
4-[4-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethoxy]phenyl]sulfonylmorpholine
CID 55471571
4-[4-[2-(5-pyridin-4-ylpyrazol-1-yl)ethoxy]phenyl]sulfonylmorpholine
CID 56539542
1-[(3-chlorophenyl)methyl]-4-(4-ethoxyphenyl)sulfonylpiperazine
CID 8746856
4-[4-[2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethoxy]phenyl]sulfonylmorpholine
CID 27353183

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylethoxy]phenyl]sulfonylmorpholine?
The IUPAC name of 4-[4-[2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylethoxy]phenyl]sulfonylmorpholine (CID 26021608) is 4-[4-[2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylethoxy]phenyl]sulfonylmorpholine.
What is the SMILES notation for 4-[4-[2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylethoxy]phenyl]sulfonylmorpholine?
The canonical SMILES for 4-[4-[2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylethoxy]phenyl]sulfonylmorpholine is O=S(=O)(c1ccc(OCCSc2nccn2-c2cccc(Cl)c2)cc1)N1CCOCC1.
What is the InChIKey of 4-[4-[2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylethoxy]phenyl]sulfonylmorpholine?
The InChIKey is VNHLZCXXFWKKSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O4S2/c22-17-2-1-3-18(16-17)25-9-8-23-21(25)30-15-14-29-19-4-6-20(7-5-19)31(26,27)24-10-12-28-13-11-24/h1-9,16H,10-15H2.
What are the key properties of 4-[4-[2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylethoxy]phenyl]sulfonylmorpholine?
4-[4-[2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylethoxy]phenyl]sulfonylmorpholine has a molecular weight of 480.01 g/mol, XLogP of 3.72, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylethoxy]phenyl]sulfonylmorpholine is sourced from PubChem (CID 26021608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).