2-(3-chlorophenyl)-4-[2-(2-fluorophenyl)ethylsulfonyl]morpholine

C18H19ClFNO3S — CID 110356630

IUPAC2-(3-chlorophenyl)-4-[2-(2-fluorophenyl)ethylsulfonyl]morpholine
SMILESO=S(=O)(CCc1ccccc1F)N1CCOC(c2cccc(Cl)c2)C1
InChIInChI=1S/C18H19ClFNO3S/c19-16-6-3-5-15(12-16)18-13-21(9-10-24-18)25(22,23)11-8-14-4-1-2-7-17(14)20/h1-7,12,18H,8-11,13H2
InChIKeyBFCUPXHMGPHQFQ-UHFFFAOYSA-N
MW383.87 g/mol
LogP3.42
Rot. Bonds5

About 2-(3-chlorophenyl)-4-[2-(2-fluorophenyl)ethylsulfonyl]morpholine

2-(3-chlorophenyl)-4-[2-(2-fluorophenyl)ethylsulfonyl]morpholine (PubChem CID 110356630) has the molecular formula C18H19ClFNO3S and a molecular weight of 383.87 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-4-[2-(2-fluorophenyl)ethylsulfonyl]morpholine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-4-[2-(2-fluorophenyl)ethylsulfonyl]morpholine
PubChem CID110356630
Molecular FormulaC18H19ClFNO3S
Molecular Weight383.87 g/mol
Exact Mass383.08
IUPAC Name2-(3-chlorophenyl)-4-[2-(2-fluorophenyl)ethylsulfonyl]morpholine
SMILESO=S(=O)(CCc1ccccc1F)N1CCOC(c2cccc(Cl)c2)C1
InChIInChI=1S/C18H19ClFNO3S/c19-16-6-3-5-15(12-16)18-13-21(9-10-24-18)25(22,23)11-8-14-4-1-2-7-17(14)20/h1-7,12,18H,8-11,13H2
InChIKeyBFCUPXHMGPHQFQ-UHFFFAOYSA-N
XLogP3.42
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.87
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,5-dichlorophenyl)-4-(2-phenylethylsulfonyl)morpholine
CID 121134610
2-(3-chlorophenyl)-N-methylmorpholine-4-sulfonamide
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2-(3-chlorophenyl)-N-propylmorpholine-4-sulfonamide
CID 110609463
(2S)-4-(3-chlorophenyl)sulfonyl-2-phenylmorpholine
CID 51696505
2-(3-chlorophenyl)-4-(4-ethylphenyl)sulfonylmorpholine
CID 110327021
2-(3-bromophenyl)-4-propylsulfonylmorpholine
CID 110364447
2-(3-chlorophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)morpholine
CID 110327031
2-(2-fluorophenyl)-4-[2-(3-methoxyphenyl)ethylsulfonyl]morpholine
CID 110609355
3-[2-(4-chlorophenyl)morpholin-4-yl]sulfonylpropanoic acid
CID 60952065
2-(4-fluorophenyl)-4-(3-phenylpropylsulfonyl)morpholine
CID 110326810
4-butylsulfonyl-2-(2-fluorophenyl)morpholine
CID 110326692
2-(3-chlorophenyl)-4-(3,4-dimethoxyphenyl)sulfonylmorpholine
CID 110327027

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-4-[2-(2-fluorophenyl)ethylsulfonyl]morpholine?
The IUPAC name of 2-(3-chlorophenyl)-4-[2-(2-fluorophenyl)ethylsulfonyl]morpholine (CID 110356630) is 2-(3-chlorophenyl)-4-[2-(2-fluorophenyl)ethylsulfonyl]morpholine.
What is the SMILES notation for 2-(3-chlorophenyl)-4-[2-(2-fluorophenyl)ethylsulfonyl]morpholine?
The canonical SMILES for 2-(3-chlorophenyl)-4-[2-(2-fluorophenyl)ethylsulfonyl]morpholine is O=S(=O)(CCc1ccccc1F)N1CCOC(c2cccc(Cl)c2)C1.
What is the InChIKey of 2-(3-chlorophenyl)-4-[2-(2-fluorophenyl)ethylsulfonyl]morpholine?
The InChIKey is BFCUPXHMGPHQFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClFNO3S/c19-16-6-3-5-15(12-16)18-13-21(9-10-24-18)25(22,23)11-8-14-4-1-2-7-17(14)20/h1-7,12,18H,8-11,13H2.
What are the key properties of 2-(3-chlorophenyl)-4-[2-(2-fluorophenyl)ethylsulfonyl]morpholine?
2-(3-chlorophenyl)-4-[2-(2-fluorophenyl)ethylsulfonyl]morpholine has a molecular weight of 383.87 g/mol, XLogP of 3.42, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-4-[2-(2-fluorophenyl)ethylsulfonyl]morpholine is sourced from PubChem (CID 110356630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).