4-(4-ethoxy-3-fluorophenyl)sulfonyl-2-phenylmorpholine

C18H20FNO4S — CID 16895293

IUPAC4-(4-ethoxy-3-fluorophenyl)sulfonyl-2-phenylmorpholine
SMILESCCOc1ccc(S(=O)(=O)N2CCOC(c3ccccc3)C2)cc1F
InChIInChI=1S/C18H20FNO4S/c1-2-23-17-9-8-15(12-16(17)19)25(21,22)20-10-11-24-18(13-20)14-6-4-3-5-7-14/h3-9,12,18H,2,10-11,13H2,1H3
InChIKeyZLFDMBDSDBNWHK-UHFFFAOYSA-N
MW365.43 g/mol
LogP2.99
Rot. Bonds5

About 4-(4-ethoxy-3-fluorophenyl)sulfonyl-2-phenylmorpholine

4-(4-ethoxy-3-fluorophenyl)sulfonyl-2-phenylmorpholine (PubChem CID 16895293) has the molecular formula C18H20FNO4S and a molecular weight of 365.43 g/mol. Its IUPAC name is 4-(4-ethoxy-3-fluorophenyl)sulfonyl-2-phenylmorpholine.

Molecular Properties

Compound Name4-(4-ethoxy-3-fluorophenyl)sulfonyl-2-phenylmorpholine
PubChem CID16895293
Molecular FormulaC18H20FNO4S
Molecular Weight365.43 g/mol
Exact Mass365.11
IUPAC Name4-(4-ethoxy-3-fluorophenyl)sulfonyl-2-phenylmorpholine
SMILESCCOc1ccc(S(=O)(=O)N2CCOC(c3ccccc3)C2)cc1F
InChIInChI=1S/C18H20FNO4S/c1-2-23-17-9-8-15(12-16(17)19)25(21,22)20-10-11-24-18(13-20)14-6-4-3-5-7-14/h3-9,12,18H,2,10-11,13H2,1H3
InChIKeyZLFDMBDSDBNWHK-UHFFFAOYSA-N
XLogP2.99
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide
CID 71454999
4-[(4-Phenoxyphenyl)sulfonyl]morpholine
CID 796473
(E)-1-(4-methoxyphenylsulfonyl)-4-phenyl-2,3,6,7-tetrahydro-1H-azepine
CID 25193005
(E)-1-(4-methoxyphenylsulfonyl)-5-phenyl-2,3,4,7-tetrahydro-1H-azepine
CID 25193144
N-(2-methylpropyl)-4-(1-methylsulfonylpiperidin-4-yl)oxy-N-[[2-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 90200493
4-Methyl-1-[1-(4-phenylmethoxyphenyl)sulfonylpiperidin-4-yl]piperidine
CID 146628088
N-benzyl-N-methyl-4-(2-morpholin-4-yl-2-oxoethoxy)benzenesulfonamide
CID 1008028
4-methoxy-N-[2-(4-morpholinyl)-2-oxoethyl]-N-(2-phenylethyl)benzenesulfonamide
CID 1092325
1-(4-Methylphenyl)sulfonyl-4-(2-phenoxyethyl)piperazine
CID 2747482
N-[2-(4-methoxyphenyl)ethyl]-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 2997539
1-(3-Fluoro-4-methoxy-benzenesulfonyl)-4-((E)-3-phenyl-allyl)-piperazine
CID 6501571
1-(4-Methoxybenzenesulfonyl)-4-(4-methoxyphenoxy)piperidine
CID 16014129

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxy-3-fluorophenyl)sulfonyl-2-phenylmorpholine?
The IUPAC name of 4-(4-ethoxy-3-fluorophenyl)sulfonyl-2-phenylmorpholine (CID 16895293) is 4-(4-ethoxy-3-fluorophenyl)sulfonyl-2-phenylmorpholine.
What is the SMILES notation for 4-(4-ethoxy-3-fluorophenyl)sulfonyl-2-phenylmorpholine?
The canonical SMILES for 4-(4-ethoxy-3-fluorophenyl)sulfonyl-2-phenylmorpholine is CCOc1ccc(S(=O)(=O)N2CCOC(c3ccccc3)C2)cc1F.
What is the InChIKey of 4-(4-ethoxy-3-fluorophenyl)sulfonyl-2-phenylmorpholine?
The InChIKey is ZLFDMBDSDBNWHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO4S/c1-2-23-17-9-8-15(12-16(17)19)25(21,22)20-10-11-24-18(13-20)14-6-4-3-5-7-14/h3-9,12,18H,2,10-11,13H2,1H3.
What are the key properties of 4-(4-ethoxy-3-fluorophenyl)sulfonyl-2-phenylmorpholine?
4-(4-ethoxy-3-fluorophenyl)sulfonyl-2-phenylmorpholine has a molecular weight of 365.43 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxy-3-fluorophenyl)sulfonyl-2-phenylmorpholine is sourced from PubChem (CID 16895293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).