2-[3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]phenyl]-2-(2-methoxyethylamino)ethanol

C24H25F2NO4S — CID 58378818

IUPAC2-[3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]phenyl]-2-(2-methoxyethylamino)ethanol
SMILESCOCCNC(CO)c1cccc(CS(=O)(=O)c2ccc(-c3ccc(F)cc3F)cc2)c1
InChIInChI=1S/C24H25F2NO4S/c1-31-12-11-27-24(15-28)19-4-2-3-17(13-19)16-32(29,30)21-8-5-18(6-9-21)22-10-7-20(25)14-23(22)26/h2-10,13-14,24,27-28H,11-12,15-16H2,1H3
InChIKeySLFUZMDUGLGAJH-UHFFFAOYSA-N
MW461.53 g/mol
LogP3.88
Rot. Bonds10

About 2-[3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]phenyl]-2-(2-methoxyethylamino)ethanol

2-[3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]phenyl]-2-(2-methoxyethylamino)ethanol (PubChem CID 58378818) has the molecular formula C24H25F2NO4S and a molecular weight of 461.53 g/mol. Its IUPAC name is 2-[3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]phenyl]-2-(2-methoxyethylamino)ethanol.

Molecular Properties

Compound Name2-[3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]phenyl]-2-(2-methoxyethylamino)ethanol
PubChem CID58378818
Molecular FormulaC24H25F2NO4S
Molecular Weight461.53 g/mol
Exact Mass461.15
IUPAC Name2-[3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]phenyl]-2-(2-methoxyethylamino)ethanol
SMILESCOCCNC(CO)c1cccc(CS(=O)(=O)c2ccc(-c3ccc(F)cc3F)cc2)c1
InChIInChI=1S/C24H25F2NO4S/c1-31-12-11-27-24(15-28)19-4-2-3-17(13-19)16-32(29,30)21-8-5-18(6-9-21)22-10-7-20(25)14-23(22)26/h2-10,13-14,24,27-28H,11-12,15-16H2,1H3
InChIKeySLFUZMDUGLGAJH-UHFFFAOYSA-N
XLogP3.88
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.53
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]phenyl]-2-(2-methoxyethylamino)ethanol?
The IUPAC name of 2-[3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]phenyl]-2-(2-methoxyethylamino)ethanol (CID 58378818) is 2-[3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]phenyl]-2-(2-methoxyethylamino)ethanol.
What is the SMILES notation for 2-[3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]phenyl]-2-(2-methoxyethylamino)ethanol?
The canonical SMILES for 2-[3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]phenyl]-2-(2-methoxyethylamino)ethanol is COCCNC(CO)c1cccc(CS(=O)(=O)c2ccc(-c3ccc(F)cc3F)cc2)c1.
What is the InChIKey of 2-[3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]phenyl]-2-(2-methoxyethylamino)ethanol?
The InChIKey is SLFUZMDUGLGAJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F2NO4S/c1-31-12-11-27-24(15-28)19-4-2-3-17(13-19)16-32(29,30)21-8-5-18(6-9-21)22-10-7-20(25)14-23(22)26/h2-10,13-14,24,27-28H,11-12,15-16H2,1H3.
What are the key properties of 2-[3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]phenyl]-2-(2-methoxyethylamino)ethanol?
2-[3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]phenyl]-2-(2-methoxyethylamino)ethanol has a molecular weight of 461.53 g/mol, XLogP of 3.88, 10 rotatable bonds, 2 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-(2-methoxyethylamino)ethanol is sourced from PubChem (CID 58378818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).