4-(4-fluorophenyl)sulfonyl-3-(2-phenylethyl)morpholine

C18H20FNO3S — CID 155269127

IUPAC4-(4-fluorophenyl)sulfonyl-3-(2-phenylethyl)morpholine
SMILESO=S(=O)(c1ccc(F)cc1)N1CCOCC1CCc1ccccc1
InChIInChI=1S/C18H20FNO3S/c19-16-7-10-18(11-8-16)24(21,22)20-12-13-23-14-17(20)9-6-15-4-2-1-3-5-15/h1-5,7-8,10-11,17H,6,9,12-14H2
InChIKeyYWGTYLFCQIBFMK-UHFFFAOYSA-N
MW349.43 g/mol
LogP2.85
Rot. Bonds5

About 4-(4-fluorophenyl)sulfonyl-3-(2-phenylethyl)morpholine

4-(4-fluorophenyl)sulfonyl-3-(2-phenylethyl)morpholine (PubChem CID 155269127) has the molecular formula C18H20FNO3S and a molecular weight of 349.43 g/mol. Its IUPAC name is 4-(4-fluorophenyl)sulfonyl-3-(2-phenylethyl)morpholine.

Molecular Properties

Compound Name4-(4-fluorophenyl)sulfonyl-3-(2-phenylethyl)morpholine
PubChem CID155269127
Molecular FormulaC18H20FNO3S
Molecular Weight349.43 g/mol
Exact Mass349.11
IUPAC Name4-(4-fluorophenyl)sulfonyl-3-(2-phenylethyl)morpholine
SMILESO=S(=O)(c1ccc(F)cc1)N1CCOCC1CCc1ccccc1
InChIInChI=1S/C18H20FNO3S/c19-16-7-10-18(11-8-16)24(21,22)20-12-13-23-14-17(20)9-6-15-4-2-1-3-5-15/h1-5,7-8,10-11,17H,6,9,12-14H2
InChIKeyYWGTYLFCQIBFMK-UHFFFAOYSA-N
XLogP2.85
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)sulfonyl-3-(2-phenylethyl)morpholine?
The IUPAC name of 4-(4-fluorophenyl)sulfonyl-3-(2-phenylethyl)morpholine (CID 155269127) is 4-(4-fluorophenyl)sulfonyl-3-(2-phenylethyl)morpholine.
What is the SMILES notation for 4-(4-fluorophenyl)sulfonyl-3-(2-phenylethyl)morpholine?
The canonical SMILES for 4-(4-fluorophenyl)sulfonyl-3-(2-phenylethyl)morpholine is O=S(=O)(c1ccc(F)cc1)N1CCOCC1CCc1ccccc1.
What is the InChIKey of 4-(4-fluorophenyl)sulfonyl-3-(2-phenylethyl)morpholine?
The InChIKey is YWGTYLFCQIBFMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO3S/c19-16-7-10-18(11-8-16)24(21,22)20-12-13-23-14-17(20)9-6-15-4-2-1-3-5-15/h1-5,7-8,10-11,17H,6,9,12-14H2.
What are the key properties of 4-(4-fluorophenyl)sulfonyl-3-(2-phenylethyl)morpholine?
4-(4-fluorophenyl)sulfonyl-3-(2-phenylethyl)morpholine has a molecular weight of 349.43 g/mol, XLogP of 2.85, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)sulfonyl-3-(2-phenylethyl)morpholine is sourced from PubChem (CID 155269127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).