2-(3,5-dichlorophenyl)-4-(2-phenylethylsulfonyl)morpholine

C18H19Cl2NO3S — CID 121134610

IUPAC2-(3,5-dichlorophenyl)-4-(2-phenylethylsulfonyl)morpholine
SMILESO=S(=O)(CCc1ccccc1)N1CCOC(c2cc(Cl)cc(Cl)c2)C1
InChIInChI=1S/C18H19Cl2NO3S/c19-16-10-15(11-17(20)12-16)18-13-21(7-8-24-18)25(22,23)9-6-14-4-2-1-3-5-14/h1-5,10-12,18H,6-9,13H2
InChIKeyWVAGYRCPMFHYLB-UHFFFAOYSA-N
MW400.33 g/mol
LogP3.94
Rot. Bonds5

About 2-(3,5-dichlorophenyl)-4-(2-phenylethylsulfonyl)morpholine

2-(3,5-dichlorophenyl)-4-(2-phenylethylsulfonyl)morpholine (PubChem CID 121134610) has the molecular formula C18H19Cl2NO3S and a molecular weight of 400.33 g/mol. Its IUPAC name is 2-(3,5-dichlorophenyl)-4-(2-phenylethylsulfonyl)morpholine.

Molecular Properties

Compound Name2-(3,5-dichlorophenyl)-4-(2-phenylethylsulfonyl)morpholine
PubChem CID121134610
Molecular FormulaC18H19Cl2NO3S
Molecular Weight400.33 g/mol
Exact Mass399.05
IUPAC Name2-(3,5-dichlorophenyl)-4-(2-phenylethylsulfonyl)morpholine
SMILESO=S(=O)(CCc1ccccc1)N1CCOC(c2cc(Cl)cc(Cl)c2)C1
InChIInChI=1S/C18H19Cl2NO3S/c19-16-10-15(11-17(20)12-16)18-13-21(7-8-24-18)25(22,23)9-6-14-4-2-1-3-5-14/h1-5,10-12,18H,6-9,13H2
InChIKeyWVAGYRCPMFHYLB-UHFFFAOYSA-N
XLogP3.94
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.33
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-methyl-4-(2-phenylethylsulfonyl)morpholine
CID 51710241
2-(3-chlorophenyl)-4-[2-(2-fluorophenyl)ethylsulfonyl]morpholine
CID 110356630
2-(4-fluorophenyl)-4-(3-phenylpropylsulfonyl)morpholine
CID 110326810
2-(4-methylphenyl)-4-(3-phenylpropylsulfonyl)morpholine
CID 110326607
2-benzyl-4-(2-phenylethylsulfonyl)morpholine
CID 110643972
2-(4-ethylphenyl)-4-(3-phenylpropylsulfonyl)morpholine
CID 110364078
2-(bromomethyl)-4-(2-phenylethylsulfonyl)morpholine
CID 81211671
1-[2-(3,5-dichlorophenyl)morpholin-4-yl]-4-phenylbutan-1-one
CID 121134473
3-[2-(4-chlorophenyl)morpholin-4-yl]sulfonylpropanoic acid
CID 60952065
4-benzylsulfonyl-2-(4-bromophenyl)morpholine
CID 47958795
4-[2-(4-methoxyphenyl)ethylsulfonyl]-2-(4-methylphenyl)morpholine
CID 121134912
2-(2-fluorophenyl)-4-[2-(3-methoxyphenyl)ethylsulfonyl]morpholine
CID 110609355

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichlorophenyl)-4-(2-phenylethylsulfonyl)morpholine?
The IUPAC name of 2-(3,5-dichlorophenyl)-4-(2-phenylethylsulfonyl)morpholine (CID 121134610) is 2-(3,5-dichlorophenyl)-4-(2-phenylethylsulfonyl)morpholine.
What is the SMILES notation for 2-(3,5-dichlorophenyl)-4-(2-phenylethylsulfonyl)morpholine?
The canonical SMILES for 2-(3,5-dichlorophenyl)-4-(2-phenylethylsulfonyl)morpholine is O=S(=O)(CCc1ccccc1)N1CCOC(c2cc(Cl)cc(Cl)c2)C1.
What is the InChIKey of 2-(3,5-dichlorophenyl)-4-(2-phenylethylsulfonyl)morpholine?
The InChIKey is WVAGYRCPMFHYLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2NO3S/c19-16-10-15(11-17(20)12-16)18-13-21(7-8-24-18)25(22,23)9-6-14-4-2-1-3-5-14/h1-5,10-12,18H,6-9,13H2.
What are the key properties of 2-(3,5-dichlorophenyl)-4-(2-phenylethylsulfonyl)morpholine?
2-(3,5-dichlorophenyl)-4-(2-phenylethylsulfonyl)morpholine has a molecular weight of 400.33 g/mol, XLogP of 3.94, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichlorophenyl)-4-(2-phenylethylsulfonyl)morpholine is sourced from PubChem (CID 121134610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).