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

C24H21Cl2NO4S — CID 102259016

IUPAC(2R,5S)-2-(2-chlorophenyl)-5-(4-chlorophenyl)-5-ethyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-4-one
SMILESCC[C@@]1(c2ccc(Cl)cc2)O[C@H](c2ccccc2Cl)N(S(=O)(=O)c2ccc(C)cc2)C1=O
InChIInChI=1S/C24H21Cl2NO4S/c1-3-24(17-10-12-18(25)13-11-17)23(28)27(22(31-24)20-6-4-5-7-21(20)26)32(29,30)19-14-8-16(2)9-15-19/h4-15,22H,3H2,1-2H3/t22-,24+/m1/s1
InChIKeyCHBABZXTBPEYBN-VWNXMTODSA-N
MW490.41 g/mol
LogP5.85
Rot. Bonds5

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

(2R,5S)-2-(2-chlorophenyl)-5-(4-chlorophenyl)-5-ethyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-4-one (PubChem CID 102259016) has the molecular formula C24H21Cl2NO4S and a molecular weight of 490.41 g/mol. Its IUPAC name is (2R,5S)-2-(2-chlorophenyl)-5-(4-chlorophenyl)-5-ethyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-4-one.

Molecular Properties

Compound Name(2R,5S)-2-(2-chlorophenyl)-5-(4-chlorophenyl)-5-ethyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-4-one
PubChem CID102259016
Molecular FormulaC24H21Cl2NO4S
Molecular Weight490.41 g/mol
Exact Mass489.06
IUPAC Name(2R,5S)-2-(2-chlorophenyl)-5-(4-chlorophenyl)-5-ethyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-4-one
SMILESCC[C@@]1(c2ccc(Cl)cc2)O[C@H](c2ccccc2Cl)N(S(=O)(=O)c2ccc(C)cc2)C1=O
InChIInChI=1S/C24H21Cl2NO4S/c1-3-24(17-10-12-18(25)13-11-17)23(28)27(22(31-24)20-6-4-5-7-21(20)26)32(29,30)19-14-8-16(2)9-15-19/h4-15,22H,3H2,1-2H3/t22-,24+/m1/s1
InChIKeyCHBABZXTBPEYBN-VWNXMTODSA-N
XLogP5.85
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.41
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,5S)-2-(2-chlorophenyl)-5-ethyl-5-(4-methylphenyl)-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-4-one
CID 102259017
(2S)-2-(2-chlorophenyl)-1-(4-methylphenyl)sulfonylaziridine
CID 71663240
(3R)-3-(4-chlorophenyl)-2-(4-methylphenyl)sulfonyloxaziridine
CID 12598044
(2R)-2-(2-chlorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidine
CID 51856371
5-(4-chlorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidin-2-one
CID 78141035
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
diethyl (2R,5S)-5-(4-chlorophenyl)-3-(4-methylphenyl)sulfonyl-2-phenyl-1,3-oxazolidine-4,4-dicarboxylate
CID 175667876

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-2-(2-chlorophenyl)-5-(4-chlorophenyl)-5-ethyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-4-one?
The IUPAC name of (2R,5S)-2-(2-chlorophenyl)-5-(4-chlorophenyl)-5-ethyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-4-one (CID 102259016) is (2R,5S)-2-(2-chlorophenyl)-5-(4-chlorophenyl)-5-ethyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-4-one.
What is the SMILES notation for (2R,5S)-2-(2-chlorophenyl)-5-(4-chlorophenyl)-5-ethyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-4-one?
The canonical SMILES for (2R,5S)-2-(2-chlorophenyl)-5-(4-chlorophenyl)-5-ethyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-4-one is CC[C@@]1(c2ccc(Cl)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-(4-chlorophenyl)-5-ethyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-4-one?
The InChIKey is CHBABZXTBPEYBN-VWNXMTODSA-N. The full InChI is InChI=1S/C24H21Cl2NO4S/c1-3-24(17-10-12-18(25)13-11-17)23(28)27(22(31-24)20-6-4-5-7-21(20)26)32(29,30)19-14-8-16(2)9-15-19/h4-15,22H,3H2,1-2H3/t22-,24+/m1/s1.
What are the key properties of (2R,5S)-2-(2-chlorophenyl)-5-(4-chlorophenyl)-5-ethyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-4-one?
(2R,5S)-2-(2-chlorophenyl)-5-(4-chlorophenyl)-5-ethyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-4-one has a molecular weight of 490.41 g/mol, XLogP of 5.85, 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-(4-chlorophenyl)-5-ethyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-4-one is sourced from PubChem (CID 102259016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).