4-[(3,5-difluorophenyl)methylsulfonyl]-2-phenylmorpholine

C17H17F2NO3S — CID 71796507

IUPAC4-[(3,5-difluorophenyl)methylsulfonyl]-2-phenylmorpholine
SMILESO=S(=O)(Cc1cc(F)cc(F)c1)N1CCOC(c2ccccc2)C1
InChIInChI=1S/C17H17F2NO3S/c18-15-8-13(9-16(19)10-15)12-24(21,22)20-6-7-23-17(11-20)14-4-2-1-3-5-14/h1-5,8-10,17H,6-7,11-12H2
InChIKeyWDQWSEYZOMUXKP-UHFFFAOYSA-N
MW353.39 g/mol
LogP2.87
Rot. Bonds4

About 4-[(3,5-difluorophenyl)methylsulfonyl]-2-phenylmorpholine

4-[(3,5-difluorophenyl)methylsulfonyl]-2-phenylmorpholine (PubChem CID 71796507) has the molecular formula C17H17F2NO3S and a molecular weight of 353.39 g/mol. Its IUPAC name is 4-[(3,5-difluorophenyl)methylsulfonyl]-2-phenylmorpholine.

Molecular Properties

Compound Name4-[(3,5-difluorophenyl)methylsulfonyl]-2-phenylmorpholine
PubChem CID71796507
Molecular FormulaC17H17F2NO3S
Molecular Weight353.39 g/mol
Exact Mass353.09
IUPAC Name4-[(3,5-difluorophenyl)methylsulfonyl]-2-phenylmorpholine
SMILESO=S(=O)(Cc1cc(F)cc(F)c1)N1CCOC(c2ccccc2)C1
InChIInChI=1S/C17H17F2NO3S/c18-15-8-13(9-16(19)10-15)12-24(21,22)20-6-7-23-17(11-20)14-4-2-1-3-5-14/h1-5,8-10,17H,6-7,11-12H2
InChIKeyWDQWSEYZOMUXKP-UHFFFAOYSA-N
XLogP2.87
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.39
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-difluorophenyl)methylsulfonyl]-2-phenylmorpholine?
The IUPAC name of 4-[(3,5-difluorophenyl)methylsulfonyl]-2-phenylmorpholine (CID 71796507) is 4-[(3,5-difluorophenyl)methylsulfonyl]-2-phenylmorpholine.
What is the SMILES notation for 4-[(3,5-difluorophenyl)methylsulfonyl]-2-phenylmorpholine?
The canonical SMILES for 4-[(3,5-difluorophenyl)methylsulfonyl]-2-phenylmorpholine is O=S(=O)(Cc1cc(F)cc(F)c1)N1CCOC(c2ccccc2)C1.
What is the InChIKey of 4-[(3,5-difluorophenyl)methylsulfonyl]-2-phenylmorpholine?
The InChIKey is WDQWSEYZOMUXKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NO3S/c18-15-8-13(9-16(19)10-15)12-24(21,22)20-6-7-23-17(11-20)14-4-2-1-3-5-14/h1-5,8-10,17H,6-7,11-12H2.
What are the key properties of 4-[(3,5-difluorophenyl)methylsulfonyl]-2-phenylmorpholine?
4-[(3,5-difluorophenyl)methylsulfonyl]-2-phenylmorpholine has a molecular weight of 353.39 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-difluorophenyl)methylsulfonyl]-2-phenylmorpholine is sourced from PubChem (CID 71796507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).