4-(fluoromethyl)-4-hydroxy-3-(4-methylphenyl)sulfonyl-5-phenyl-1,3-oxazolidin-2-one

C17H16FNO5S — CID 138980467

IUPAC4-(fluoromethyl)-4-hydroxy-3-(4-methylphenyl)sulfonyl-5-phenyl-1,3-oxazolidin-2-one
SMILESCc1ccc(S(=O)(=O)N2C(=O)OC(c3ccccc3)C2(O)CF)cc1
InChIInChI=1S/C17H16FNO5S/c1-12-7-9-14(10-8-12)25(22,23)19-16(20)24-15(17(19,21)11-18)13-5-3-2-4-6-13/h2-10,15,21H,11H2,1H3
InChIKeyAXBLDWXBEAFATO-UHFFFAOYSA-N
MW365.38 g/mol
LogP2.54
Rot. Bonds4

About 4-(fluoromethyl)-4-hydroxy-3-(4-methylphenyl)sulfonyl-5-phenyl-1,3-oxazolidin-2-one

4-(fluoromethyl)-4-hydroxy-3-(4-methylphenyl)sulfonyl-5-phenyl-1,3-oxazolidin-2-one (PubChem CID 138980467) has the molecular formula C17H16FNO5S and a molecular weight of 365.38 g/mol. Its IUPAC name is 4-(fluoromethyl)-4-hydroxy-3-(4-methylphenyl)sulfonyl-5-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-(fluoromethyl)-4-hydroxy-3-(4-methylphenyl)sulfonyl-5-phenyl-1,3-oxazolidin-2-one
PubChem CID138980467
Molecular FormulaC17H16FNO5S
Molecular Weight365.38 g/mol
Exact Mass365.07
IUPAC Name4-(fluoromethyl)-4-hydroxy-3-(4-methylphenyl)sulfonyl-5-phenyl-1,3-oxazolidin-2-one
SMILESCc1ccc(S(=O)(=O)N2C(=O)OC(c3ccccc3)C2(O)CF)cc1
InChIInChI=1S/C17H16FNO5S/c1-12-7-9-14(10-8-12)25(22,23)19-16(20)24-15(17(19,21)11-18)13-5-3-2-4-6-13/h2-10,15,21H,11H2,1H3
InChIKeyAXBLDWXBEAFATO-UHFFFAOYSA-N
XLogP2.54
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.38
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethyl)-4-hydroxy-3-(4-methylphenyl)sulfonyl-5-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of 4-(fluoromethyl)-4-hydroxy-3-(4-methylphenyl)sulfonyl-5-phenyl-1,3-oxazolidin-2-one (CID 138980467) is 4-(fluoromethyl)-4-hydroxy-3-(4-methylphenyl)sulfonyl-5-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-(fluoromethyl)-4-hydroxy-3-(4-methylphenyl)sulfonyl-5-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for 4-(fluoromethyl)-4-hydroxy-3-(4-methylphenyl)sulfonyl-5-phenyl-1,3-oxazolidin-2-one is Cc1ccc(S(=O)(=O)N2C(=O)OC(c3ccccc3)C2(O)CF)cc1.
What is the InChIKey of 4-(fluoromethyl)-4-hydroxy-3-(4-methylphenyl)sulfonyl-5-phenyl-1,3-oxazolidin-2-one?
The InChIKey is AXBLDWXBEAFATO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO5S/c1-12-7-9-14(10-8-12)25(22,23)19-16(20)24-15(17(19,21)11-18)13-5-3-2-4-6-13/h2-10,15,21H,11H2,1H3.
What are the key properties of 4-(fluoromethyl)-4-hydroxy-3-(4-methylphenyl)sulfonyl-5-phenyl-1,3-oxazolidin-2-one?
4-(fluoromethyl)-4-hydroxy-3-(4-methylphenyl)sulfonyl-5-phenyl-1,3-oxazolidin-2-one has a molecular weight of 365.38 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethyl)-4-hydroxy-3-(4-methylphenyl)sulfonyl-5-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 138980467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).