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

C17H18FNO3S — CID 42949939

IUPAC2-(4-fluorophenyl)-4-(4-methylphenyl)sulfonylmorpholine
SMILESCc1ccc(S(=O)(=O)N2CCOC(c3ccc(F)cc3)C2)cc1
InChIInChI=1S/C17H18FNO3S/c1-13-2-8-16(9-3-13)23(20,21)19-10-11-22-17(12-19)14-4-6-15(18)7-5-14/h2-9,17H,10-12H2,1H3
InChIKeyWLTBZPXMBQEYAT-UHFFFAOYSA-N
MW335.40 g/mol
LogP2.90
Rot. Bonds3

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

2-(4-fluorophenyl)-4-(4-methylphenyl)sulfonylmorpholine (PubChem CID 42949939) has the molecular formula C17H18FNO3S and a molecular weight of 335.40 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4-(4-methylphenyl)sulfonylmorpholine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4-(4-methylphenyl)sulfonylmorpholine
PubChem CID42949939
Molecular FormulaC17H18FNO3S
Molecular Weight335.40 g/mol
Exact Mass335.10
IUPAC Name2-(4-fluorophenyl)-4-(4-methylphenyl)sulfonylmorpholine
SMILESCc1ccc(S(=O)(=O)N2CCOC(c3ccc(F)cc3)C2)cc1
InChIInChI=1S/C17H18FNO3S/c1-13-2-8-16(9-3-13)23(20,21)19-10-11-22-17(12-19)14-4-6-15(18)7-5-14/h2-9,17H,10-12H2,1H3
InChIKeyWLTBZPXMBQEYAT-UHFFFAOYSA-N
XLogP2.90
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-4-(4-methylphenyl)sulfonylmorpholine?
The IUPAC name of 2-(4-fluorophenyl)-4-(4-methylphenyl)sulfonylmorpholine (CID 42949939) is 2-(4-fluorophenyl)-4-(4-methylphenyl)sulfonylmorpholine.
What is the SMILES notation for 2-(4-fluorophenyl)-4-(4-methylphenyl)sulfonylmorpholine?
The canonical SMILES for 2-(4-fluorophenyl)-4-(4-methylphenyl)sulfonylmorpholine is Cc1ccc(S(=O)(=O)N2CCOC(c3ccc(F)cc3)C2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-4-(4-methylphenyl)sulfonylmorpholine?
The InChIKey is WLTBZPXMBQEYAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO3S/c1-13-2-8-16(9-3-13)23(20,21)19-10-11-22-17(12-19)14-4-6-15(18)7-5-14/h2-9,17H,10-12H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-4-(4-methylphenyl)sulfonylmorpholine?
2-(4-fluorophenyl)-4-(4-methylphenyl)sulfonylmorpholine has a molecular weight of 335.40 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-4-(4-methylphenyl)sulfonylmorpholine is sourced from PubChem (CID 42949939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).