(4R)-4-(2-fluorophenyl)-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one

C16H14FNO4S — CID 164679420

IUPAC(4R)-4-(2-fluorophenyl)-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one
SMILESCc1ccc(S(=O)(=O)N2C(=O)OC[C@H]2c2ccccc2F)cc1
InChIInChI=1S/C16H14FNO4S/c1-11-6-8-12(9-7-11)23(20,21)18-15(10-22-16(18)19)13-4-2-3-5-14(13)17/h2-9,15H,10H2,1H3/t15-/m0/s1
InChIKeyYZGFQPFJILKWJB-HNNXBMFYSA-N
MW335.36 g/mol
LogP3.02
Rot. Bonds3

About (4R)-4-(2-fluorophenyl)-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one

(4R)-4-(2-fluorophenyl)-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one (PubChem CID 164679420) has the molecular formula C16H14FNO4S and a molecular weight of 335.36 g/mol. Its IUPAC name is (4R)-4-(2-fluorophenyl)-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-(2-fluorophenyl)-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one
PubChem CID164679420
Molecular FormulaC16H14FNO4S
Molecular Weight335.36 g/mol
Exact Mass335.06
IUPAC Name(4R)-4-(2-fluorophenyl)-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one
SMILESCc1ccc(S(=O)(=O)N2C(=O)OC[C@H]2c2ccccc2F)cc1
InChIInChI=1S/C16H14FNO4S/c1-11-6-8-12(9-7-11)23(20,21)18-15(10-22-16(18)19)13-4-2-3-5-14(13)17/h2-9,15H,10H2,1H3/t15-/m0/s1
InChIKeyYZGFQPFJILKWJB-HNNXBMFYSA-N
XLogP3.02
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-(2-fluorophenyl)-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-(2-fluorophenyl)-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one (CID 164679420) is (4R)-4-(2-fluorophenyl)-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-(2-fluorophenyl)-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-(2-fluorophenyl)-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one is Cc1ccc(S(=O)(=O)N2C(=O)OC[C@H]2c2ccccc2F)cc1.
What is the InChIKey of (4R)-4-(2-fluorophenyl)-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one?
The InChIKey is YZGFQPFJILKWJB-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H14FNO4S/c1-11-6-8-12(9-7-11)23(20,21)18-15(10-22-16(18)19)13-4-2-3-5-14(13)17/h2-9,15H,10H2,1H3/t15-/m0/s1.
What are the key properties of (4R)-4-(2-fluorophenyl)-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one?
(4R)-4-(2-fluorophenyl)-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one has a molecular weight of 335.36 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(2-fluorophenyl)-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 164679420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).