3-(4-fluorophenyl)-4-(4-methoxy-2-methylphenyl)sulfonylmorpholine

C18H20FNO4S — CID 110663893

IUPAC3-(4-fluorophenyl)-4-(4-methoxy-2-methylphenyl)sulfonylmorpholine
SMILESCOc1ccc(S(=O)(=O)N2CCOCC2c2ccc(F)cc2)c(C)c1
InChIInChI=1S/C18H20FNO4S/c1-13-11-16(23-2)7-8-18(13)25(21,22)20-9-10-24-12-17(20)14-3-5-15(19)6-4-14/h3-8,11,17H,9-10,12H2,1-2H3
InChIKeyNPZWNRTZGBRBKE-UHFFFAOYSA-N
MW365.43 g/mol
LogP2.90
Rot. Bonds4

About 3-(4-fluorophenyl)-4-(4-methoxy-2-methylphenyl)sulfonylmorpholine

3-(4-fluorophenyl)-4-(4-methoxy-2-methylphenyl)sulfonylmorpholine (PubChem CID 110663893) has the molecular formula C18H20FNO4S and a molecular weight of 365.43 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-4-(4-methoxy-2-methylphenyl)sulfonylmorpholine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-4-(4-methoxy-2-methylphenyl)sulfonylmorpholine
PubChem CID110663893
Molecular FormulaC18H20FNO4S
Molecular Weight365.43 g/mol
Exact Mass365.11
IUPAC Name3-(4-fluorophenyl)-4-(4-methoxy-2-methylphenyl)sulfonylmorpholine
SMILESCOc1ccc(S(=O)(=O)N2CCOCC2c2ccc(F)cc2)c(C)c1
InChIInChI=1S/C18H20FNO4S/c1-13-11-16(23-2)7-8-18(13)25(21,22)20-9-10-24-12-17(20)14-3-5-15(19)6-4-14/h3-8,11,17H,9-10,12H2,1-2H3
InChIKeyNPZWNRTZGBRBKE-UHFFFAOYSA-N
XLogP2.90
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-4-(4-methoxy-2-methylphenyl)sulfonylmorpholine?
The IUPAC name of 3-(4-fluorophenyl)-4-(4-methoxy-2-methylphenyl)sulfonylmorpholine (CID 110663893) is 3-(4-fluorophenyl)-4-(4-methoxy-2-methylphenyl)sulfonylmorpholine.
What is the SMILES notation for 3-(4-fluorophenyl)-4-(4-methoxy-2-methylphenyl)sulfonylmorpholine?
The canonical SMILES for 3-(4-fluorophenyl)-4-(4-methoxy-2-methylphenyl)sulfonylmorpholine is COc1ccc(S(=O)(=O)N2CCOCC2c2ccc(F)cc2)c(C)c1.
What is the InChIKey of 3-(4-fluorophenyl)-4-(4-methoxy-2-methylphenyl)sulfonylmorpholine?
The InChIKey is NPZWNRTZGBRBKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO4S/c1-13-11-16(23-2)7-8-18(13)25(21,22)20-9-10-24-12-17(20)14-3-5-15(19)6-4-14/h3-8,11,17H,9-10,12H2,1-2H3.
What are the key properties of 3-(4-fluorophenyl)-4-(4-methoxy-2-methylphenyl)sulfonylmorpholine?
3-(4-fluorophenyl)-4-(4-methoxy-2-methylphenyl)sulfonylmorpholine has a molecular weight of 365.43 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-4-(4-methoxy-2-methylphenyl)sulfonylmorpholine is sourced from PubChem (CID 110663893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).