4-[3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]phenyl]-3-methyl-1,3-oxazolidin-2-one

C23H19F2NO4S — CID 58378786

IUPAC4-[3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]phenyl]-3-methyl-1,3-oxazolidin-2-one
SMILESCN1C(=O)OCC1c1cccc(CS(=O)(=O)c2ccc(-c3ccc(F)cc3F)cc2)c1
InChIInChI=1S/C23H19F2NO4S/c1-26-22(13-30-23(26)27)17-4-2-3-15(11-17)14-31(28,29)19-8-5-16(6-9-19)20-10-7-18(24)12-21(20)25/h2-12,22H,13-14H2,1H3
InChIKeyWTHBZEZKQTWXMQ-UHFFFAOYSA-N
MW443.47 g/mol
LogP4.73
Rot. Bonds5

About 4-[3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]phenyl]-3-methyl-1,3-oxazolidin-2-one

4-[3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]phenyl]-3-methyl-1,3-oxazolidin-2-one (PubChem CID 58378786) has the molecular formula C23H19F2NO4S and a molecular weight of 443.47 g/mol. Its IUPAC name is 4-[3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]phenyl]-3-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-[3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]phenyl]-3-methyl-1,3-oxazolidin-2-one
PubChem CID58378786
Molecular FormulaC23H19F2NO4S
Molecular Weight443.47 g/mol
Exact Mass443.10
IUPAC Name4-[3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]phenyl]-3-methyl-1,3-oxazolidin-2-one
SMILESCN1C(=O)OCC1c1cccc(CS(=O)(=O)c2ccc(-c3ccc(F)cc3F)cc2)c1
InChIInChI=1S/C23H19F2NO4S/c1-26-22(13-30-23(26)27)17-4-2-3-15(11-17)14-31(28,29)19-8-5-16(6-9-19)20-10-7-18(24)12-21(20)25/h2-12,22H,13-14H2,1H3
InChIKeyWTHBZEZKQTWXMQ-UHFFFAOYSA-N
XLogP4.73
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.47
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]phenyl]-3-methyl-1,3-oxazolidin-2-one?
The IUPAC name of 4-[3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]phenyl]-3-methyl-1,3-oxazolidin-2-one (CID 58378786) is 4-[3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]phenyl]-3-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-[3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]phenyl]-3-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for 4-[3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]phenyl]-3-methyl-1,3-oxazolidin-2-one is CN1C(=O)OCC1c1cccc(CS(=O)(=O)c2ccc(-c3ccc(F)cc3F)cc2)c1.
What is the InChIKey of 4-[3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]phenyl]-3-methyl-1,3-oxazolidin-2-one?
The InChIKey is WTHBZEZKQTWXMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F2NO4S/c1-26-22(13-30-23(26)27)17-4-2-3-15(11-17)14-31(28,29)19-8-5-16(6-9-19)20-10-7-18(24)12-21(20)25/h2-12,22H,13-14H2,1H3.
What are the key properties of 4-[3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]phenyl]-3-methyl-1,3-oxazolidin-2-one?
4-[3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]phenyl]-3-methyl-1,3-oxazolidin-2-one has a molecular weight of 443.47 g/mol, XLogP of 4.73, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]phenyl]-3-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 58378786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).