3-[4-[(1R)-1-[4-(difluoromethylsulfonyl)anilino]ethyl]phenyl]-1,3-oxazolidin-2-one

C18H18F2N2O4S — CID 95586363

IUPAC3-[4-[(1R)-1-[4-(difluoromethylsulfonyl)anilino]ethyl]phenyl]-1,3-oxazolidin-2-one
SMILESC[C@@H](Nc1ccc(S(=O)(=O)C(F)F)cc1)c1ccc(N2CCOC2=O)cc1
InChIInChI=1S/C18H18F2N2O4S/c1-12(13-2-6-15(7-3-13)22-10-11-26-18(22)23)21-14-4-8-16(9-5-14)27(24,25)17(19)20/h2-9,12,17,21H,10-11H2,1H3/t12-/m1/s1
InChIKeyOZZLXBVFWFUSPN-GFCCVEGCSA-N
MW396.42 g/mol
LogP3.81
Rot. Bonds6

About 3-[4-[(1R)-1-[4-(difluoromethylsulfonyl)anilino]ethyl]phenyl]-1,3-oxazolidin-2-one

3-[4-[(1R)-1-[4-(difluoromethylsulfonyl)anilino]ethyl]phenyl]-1,3-oxazolidin-2-one (PubChem CID 95586363) has the molecular formula C18H18F2N2O4S and a molecular weight of 396.42 g/mol. Its IUPAC name is 3-[4-[(1R)-1-[4-(difluoromethylsulfonyl)anilino]ethyl]phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[4-[(1R)-1-[4-(difluoromethylsulfonyl)anilino]ethyl]phenyl]-1,3-oxazolidin-2-one
PubChem CID95586363
Molecular FormulaC18H18F2N2O4S
Molecular Weight396.42 g/mol
Exact Mass396.10
IUPAC Name3-[4-[(1R)-1-[4-(difluoromethylsulfonyl)anilino]ethyl]phenyl]-1,3-oxazolidin-2-one
SMILESC[C@@H](Nc1ccc(S(=O)(=O)C(F)F)cc1)c1ccc(N2CCOC2=O)cc1
InChIInChI=1S/C18H18F2N2O4S/c1-12(13-2-6-15(7-3-13)22-10-11-26-18(22)23)21-14-4-8-16(9-5-14)27(24,25)17(19)20/h2-9,12,17,21H,10-11H2,1H3/t12-/m1/s1
InChIKeyOZZLXBVFWFUSPN-GFCCVEGCSA-N
XLogP3.81
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.42
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[(1R)-1-[4-(difluoromethylsulfonyl)anilino]ethyl]phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[4-[(1R)-1-[4-(difluoromethylsulfonyl)anilino]ethyl]phenyl]-1,3-oxazolidin-2-one (CID 95586363) is 3-[4-[(1R)-1-[4-(difluoromethylsulfonyl)anilino]ethyl]phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[4-[(1R)-1-[4-(difluoromethylsulfonyl)anilino]ethyl]phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[4-[(1R)-1-[4-(difluoromethylsulfonyl)anilino]ethyl]phenyl]-1,3-oxazolidin-2-one is C[C@@H](Nc1ccc(S(=O)(=O)C(F)F)cc1)c1ccc(N2CCOC2=O)cc1.
What is the InChIKey of 3-[4-[(1R)-1-[4-(difluoromethylsulfonyl)anilino]ethyl]phenyl]-1,3-oxazolidin-2-one?
The InChIKey is OZZLXBVFWFUSPN-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H18F2N2O4S/c1-12(13-2-6-15(7-3-13)22-10-11-26-18(22)23)21-14-4-8-16(9-5-14)27(24,25)17(19)20/h2-9,12,17,21H,10-11H2,1H3/t12-/m1/s1.
What are the key properties of 3-[4-[(1R)-1-[4-(difluoromethylsulfonyl)anilino]ethyl]phenyl]-1,3-oxazolidin-2-one?
3-[4-[(1R)-1-[4-(difluoromethylsulfonyl)anilino]ethyl]phenyl]-1,3-oxazolidin-2-one has a molecular weight of 396.42 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(1R)-1-[4-(difluoromethylsulfonyl)anilino]ethyl]phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 95586363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).