2-[3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]phenyl]-2-morpholin-4-ylethanol

C25H25F2NO4S — CID 58378889

IUPAC2-[3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]phenyl]-2-morpholin-4-ylethanol
SMILESO=S(=O)(Cc1cccc(C(CO)N2CCOCC2)c1)c1ccc(-c2ccc(F)cc2F)cc1
InChIInChI=1S/C25H25F2NO4S/c26-21-6-9-23(24(27)15-21)19-4-7-22(8-5-19)33(30,31)17-18-2-1-3-20(14-18)25(16-29)28-10-12-32-13-11-28/h1-9,14-15,25,29H,10-13,16-17H2
InChIKeyWITFBMHUNYCVPD-UHFFFAOYSA-N
MW473.54 g/mol
LogP3.97
Rot. Bonds7

About 2-[3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]phenyl]-2-morpholin-4-ylethanol

2-[3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]phenyl]-2-morpholin-4-ylethanol (PubChem CID 58378889) has the molecular formula C25H25F2NO4S and a molecular weight of 473.54 g/mol. Its IUPAC name is 2-[3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]phenyl]-2-morpholin-4-ylethanol.

Molecular Properties

Compound Name2-[3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]phenyl]-2-morpholin-4-ylethanol
PubChem CID58378889
Molecular FormulaC25H25F2NO4S
Molecular Weight473.54 g/mol
Exact Mass473.15
IUPAC Name2-[3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]phenyl]-2-morpholin-4-ylethanol
SMILESO=S(=O)(Cc1cccc(C(CO)N2CCOCC2)c1)c1ccc(-c2ccc(F)cc2F)cc1
InChIInChI=1S/C25H25F2NO4S/c26-21-6-9-23(24(27)15-21)19-4-7-22(8-5-19)33(30,31)17-18-2-1-3-20(14-18)25(16-29)28-10-12-32-13-11-28/h1-9,14-15,25,29H,10-13,16-17H2
InChIKeyWITFBMHUNYCVPD-UHFFFAOYSA-N
XLogP3.97
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.54
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]phenyl]-2-morpholin-4-ylethanol?
The IUPAC name of 2-[3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]phenyl]-2-morpholin-4-ylethanol (CID 58378889) is 2-[3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]phenyl]-2-morpholin-4-ylethanol.
What is the SMILES notation for 2-[3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]phenyl]-2-morpholin-4-ylethanol?
The canonical SMILES for 2-[3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]phenyl]-2-morpholin-4-ylethanol is O=S(=O)(Cc1cccc(C(CO)N2CCOCC2)c1)c1ccc(-c2ccc(F)cc2F)cc1.
What is the InChIKey of 2-[3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]phenyl]-2-morpholin-4-ylethanol?
The InChIKey is WITFBMHUNYCVPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F2NO4S/c26-21-6-9-23(24(27)15-21)19-4-7-22(8-5-19)33(30,31)17-18-2-1-3-20(14-18)25(16-29)28-10-12-32-13-11-28/h1-9,14-15,25,29H,10-13,16-17H2.
What are the key properties of 2-[3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]phenyl]-2-morpholin-4-ylethanol?
2-[3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]phenyl]-2-morpholin-4-ylethanol has a molecular weight of 473.54 g/mol, XLogP of 3.97, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]phenyl]-2-morpholin-4-ylethanol is sourced from PubChem (CID 58378889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).