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

C16H16FNO3S — CID 16895234

IUPAC4-(2-fluorophenyl)sulfonyl-2-phenylmorpholine
SMILESO=S(=O)(c1ccccc1F)N1CCOC(c2ccccc2)C1
InChIInChI=1S/C16H16FNO3S/c17-14-8-4-5-9-16(14)22(19,20)18-10-11-21-15(12-18)13-6-2-1-3-7-13/h1-9,15H,10-12H2
InChIKeyGXGXMGZQHKZLKO-UHFFFAOYSA-N
MW321.37 g/mol
LogP2.59
Rot. Bonds3

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

4-(2-fluorophenyl)sulfonyl-2-phenylmorpholine (PubChem CID 16895234) has the molecular formula C16H16FNO3S and a molecular weight of 321.37 g/mol. Its IUPAC name is 4-(2-fluorophenyl)sulfonyl-2-phenylmorpholine.

Molecular Properties

Compound Name4-(2-fluorophenyl)sulfonyl-2-phenylmorpholine
PubChem CID16895234
Molecular FormulaC16H16FNO3S
Molecular Weight321.37 g/mol
Exact Mass321.08
IUPAC Name4-(2-fluorophenyl)sulfonyl-2-phenylmorpholine
SMILESO=S(=O)(c1ccccc1F)N1CCOC(c2ccccc2)C1
InChIInChI=1S/C16H16FNO3S/c17-14-8-4-5-9-16(14)22(19,20)18-10-11-21-15(12-18)13-6-2-1-3-7-13/h1-9,15H,10-12H2
InChIKeyGXGXMGZQHKZLKO-UHFFFAOYSA-N
XLogP2.59
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.37
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)sulfonyl-2-phenylmorpholine?
The IUPAC name of 4-(2-fluorophenyl)sulfonyl-2-phenylmorpholine (CID 16895234) is 4-(2-fluorophenyl)sulfonyl-2-phenylmorpholine.
What is the SMILES notation for 4-(2-fluorophenyl)sulfonyl-2-phenylmorpholine?
The canonical SMILES for 4-(2-fluorophenyl)sulfonyl-2-phenylmorpholine is O=S(=O)(c1ccccc1F)N1CCOC(c2ccccc2)C1.
What is the InChIKey of 4-(2-fluorophenyl)sulfonyl-2-phenylmorpholine?
The InChIKey is GXGXMGZQHKZLKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO3S/c17-14-8-4-5-9-16(14)22(19,20)18-10-11-21-15(12-18)13-6-2-1-3-7-13/h1-9,15H,10-12H2.
What are the key properties of 4-(2-fluorophenyl)sulfonyl-2-phenylmorpholine?
4-(2-fluorophenyl)sulfonyl-2-phenylmorpholine has a molecular weight of 321.37 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)sulfonyl-2-phenylmorpholine is sourced from PubChem (CID 16895234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).