(2R,5S)-2-(2-chlorophenyl)-5-ethyl-5-(4-methylphenyl)-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-4-one

C25H24ClNO4S — CID 102259017

IUPAC(2R,5S)-2-(2-chlorophenyl)-5-ethyl-5-(4-methylphenyl)-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-4-one
SMILESCC[C@@]1(c2ccc(C)cc2)O[C@H](c2ccccc2Cl)N(S(=O)(=O)c2ccc(C)cc2)C1=O
InChIInChI=1S/C25H24ClNO4S/c1-4-25(19-13-9-17(2)10-14-19)24(28)27(23(31-25)21-7-5-6-8-22(21)26)32(29,30)20-15-11-18(3)12-16-20/h5-16,23H,4H2,1-3H3/t23-,25+/m1/s1
InChIKeyWVGZTQORMUMIER-NOZRDPDXSA-N
MW469.99 g/mol
LogP5.51
Rot. Bonds5

About (2R,5S)-2-(2-chlorophenyl)-5-ethyl-5-(4-methylphenyl)-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-4-one

(2R,5S)-2-(2-chlorophenyl)-5-ethyl-5-(4-methylphenyl)-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-4-one (PubChem CID 102259017) has the molecular formula C25H24ClNO4S and a molecular weight of 469.99 g/mol. Its IUPAC name is (2R,5S)-2-(2-chlorophenyl)-5-ethyl-5-(4-methylphenyl)-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-4-one.

Molecular Properties

Compound Name(2R,5S)-2-(2-chlorophenyl)-5-ethyl-5-(4-methylphenyl)-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-4-one
PubChem CID102259017
Molecular FormulaC25H24ClNO4S
Molecular Weight469.99 g/mol
Exact Mass469.11
IUPAC Name(2R,5S)-2-(2-chlorophenyl)-5-ethyl-5-(4-methylphenyl)-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-4-one
SMILESCC[C@@]1(c2ccc(C)cc2)O[C@H](c2ccccc2Cl)N(S(=O)(=O)c2ccc(C)cc2)C1=O
InChIInChI=1S/C25H24ClNO4S/c1-4-25(19-13-9-17(2)10-14-19)24(28)27(23(31-25)21-7-5-6-8-22(21)26)32(29,30)20-15-11-18(3)12-16-20/h5-16,23H,4H2,1-3H3/t23-,25+/m1/s1
InChIKeyWVGZTQORMUMIER-NOZRDPDXSA-N
XLogP5.51
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.99
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,5S)-2-(2-chlorophenyl)-5-(4-chlorophenyl)-5-ethyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-4-one
CID 102259016
(2S)-2-(2-chlorophenyl)-1-(4-methylphenyl)sulfonylaziridine
CID 71663240
(2R)-2-(2-chlorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidine
CID 51856371
3-(2-chlorophenyl)-4-(4-methylphenyl)sulfonylpiperazin-2-one
CID 110657427
ethyl (2S,3R)-3-(2-chlorophenyl)-1-(4-methylphenyl)sulfonylaziridine-2-carboxylate
CID 11440377
2-(2-chlorophenyl)-1-(4-methylphenyl)sulfonylazepane
CID 53096111
3-(2-chlorophenyl)-4-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydropyrrole
CID 54671581
5-ethyl-1-(4-methylphenyl)sulfonyl-3,3-diphenylpyrrolidin-2-one
CID 134958502
2-(2-chlorophenyl)-4-methylidene-1-(4-methylphenyl)sulfonylpyrrolidine
CID 86167152
(1R,9R)-17-ethyl-8,16-bis-(4-methylphenyl)sulfonyl-8,16,17-triazatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene
CID 6602036
2-(4-methylphenyl)sulfonyl-3-phenyl-3H-isoindol-1-one
CID 132940992
N-[5-benzyl-2-(4-methylphenyl)-3-(4-methylphenyl)sulfonyl-4-oxo-1,3-oxazolidin-5-yl]benzamide
CID 102112991

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-2-(2-chlorophenyl)-5-ethyl-5-(4-methylphenyl)-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-4-one?
The IUPAC name of (2R,5S)-2-(2-chlorophenyl)-5-ethyl-5-(4-methylphenyl)-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-4-one (CID 102259017) is (2R,5S)-2-(2-chlorophenyl)-5-ethyl-5-(4-methylphenyl)-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-4-one.
What is the SMILES notation for (2R,5S)-2-(2-chlorophenyl)-5-ethyl-5-(4-methylphenyl)-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-4-one?
The canonical SMILES for (2R,5S)-2-(2-chlorophenyl)-5-ethyl-5-(4-methylphenyl)-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-4-one is CC[C@@]1(c2ccc(C)cc2)O[C@H](c2ccccc2Cl)N(S(=O)(=O)c2ccc(C)cc2)C1=O.
What is the InChIKey of (2R,5S)-2-(2-chlorophenyl)-5-ethyl-5-(4-methylphenyl)-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-4-one?
The InChIKey is WVGZTQORMUMIER-NOZRDPDXSA-N. The full InChI is InChI=1S/C25H24ClNO4S/c1-4-25(19-13-9-17(2)10-14-19)24(28)27(23(31-25)21-7-5-6-8-22(21)26)32(29,30)20-15-11-18(3)12-16-20/h5-16,23H,4H2,1-3H3/t23-,25+/m1/s1.
What are the key properties of (2R,5S)-2-(2-chlorophenyl)-5-ethyl-5-(4-methylphenyl)-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-4-one?
(2R,5S)-2-(2-chlorophenyl)-5-ethyl-5-(4-methylphenyl)-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-4-one has a molecular weight of 469.99 g/mol, XLogP of 5.51, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-2-(2-chlorophenyl)-5-ethyl-5-(4-methylphenyl)-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-4-one is sourced from PubChem (CID 102259017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).