(4R,5R)-4-(2-fluorophenyl)-5-methyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one

C17H16FNO4S — CID 164679419

IUPAC(4R,5R)-4-(2-fluorophenyl)-5-methyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one
SMILESCc1ccc(S(=O)(=O)N2C(=O)O[C@H](C)[C@H]2c2ccccc2F)cc1
InChIInChI=1S/C17H16FNO4S/c1-11-7-9-13(10-8-11)24(21,22)19-16(12(2)23-17(19)20)14-5-3-4-6-15(14)18/h3-10,12,16H,1-2H3/t12-,16+/m1/s1
InChIKeyJRUIDCILUWIHIN-WBMJQRKESA-N
MW349.38 g/mol
LogP3.40
Rot. Bonds3

About (4R,5R)-4-(2-fluorophenyl)-5-methyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one

(4R,5R)-4-(2-fluorophenyl)-5-methyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one (PubChem CID 164679419) has the molecular formula C17H16FNO4S and a molecular weight of 349.38 g/mol. Its IUPAC name is (4R,5R)-4-(2-fluorophenyl)-5-methyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R,5R)-4-(2-fluorophenyl)-5-methyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one
PubChem CID164679419
Molecular FormulaC17H16FNO4S
Molecular Weight349.38 g/mol
Exact Mass349.08
IUPAC Name(4R,5R)-4-(2-fluorophenyl)-5-methyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one
SMILESCc1ccc(S(=O)(=O)N2C(=O)O[C@H](C)[C@H]2c2ccccc2F)cc1
InChIInChI=1S/C17H16FNO4S/c1-11-7-9-13(10-8-11)24(21,22)19-16(12(2)23-17(19)20)14-5-3-4-6-15(14)18/h3-10,12,16H,1-2H3/t12-,16+/m1/s1
InChIKeyJRUIDCILUWIHIN-WBMJQRKESA-N
XLogP3.40
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.38
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R,5R)-4-(2-fluorophenyl)-5-methyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one?
The IUPAC name of (4R,5R)-4-(2-fluorophenyl)-5-methyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one (CID 164679419) is (4R,5R)-4-(2-fluorophenyl)-5-methyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R,5R)-4-(2-fluorophenyl)-5-methyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R,5R)-4-(2-fluorophenyl)-5-methyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one is Cc1ccc(S(=O)(=O)N2C(=O)O[C@H](C)[C@H]2c2ccccc2F)cc1.
What is the InChIKey of (4R,5R)-4-(2-fluorophenyl)-5-methyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one?
The InChIKey is JRUIDCILUWIHIN-WBMJQRKESA-N. The full InChI is InChI=1S/C17H16FNO4S/c1-11-7-9-13(10-8-11)24(21,22)19-16(12(2)23-17(19)20)14-5-3-4-6-15(14)18/h3-10,12,16H,1-2H3/t12-,16+/m1/s1.
What are the key properties of (4R,5R)-4-(2-fluorophenyl)-5-methyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one?
(4R,5R)-4-(2-fluorophenyl)-5-methyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one has a molecular weight of 349.38 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-4-(2-fluorophenyl)-5-methyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 164679419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).