(4R,5S)-4-benzoyl-3-(4-methylphenyl)sulfonyl-5-phenyl-1,3-oxazolidin-2-one

C23H19NO5S — CID 11133598

IUPAC(4R,5S)-4-benzoyl-3-(4-methylphenyl)sulfonyl-5-phenyl-1,3-oxazolidin-2-one
SMILESCc1ccc(S(=O)(=O)N2C(=O)O[C@@H](c3ccccc3)[C@@H]2C(=O)c2ccccc2)cc1
InChIInChI=1S/C23H19NO5S/c1-16-12-14-19(15-13-16)30(27,28)24-20(21(25)17-8-4-2-5-9-17)22(29-23(24)26)18-10-6-3-7-11-18/h2-15,20,22H,1H3/t20-,22-/m0/s1
InChIKeyOPPHCAPVRGNKGR-UNMCSNQZSA-N
MW421.47 g/mol
LogP4.13
Rot. Bonds5

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

(4R,5S)-4-benzoyl-3-(4-methylphenyl)sulfonyl-5-phenyl-1,3-oxazolidin-2-one (PubChem CID 11133598) has the molecular formula C23H19NO5S and a molecular weight of 421.47 g/mol. Its IUPAC name is (4R,5S)-4-benzoyl-3-(4-methylphenyl)sulfonyl-5-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R,5S)-4-benzoyl-3-(4-methylphenyl)sulfonyl-5-phenyl-1,3-oxazolidin-2-one
PubChem CID11133598
Molecular FormulaC23H19NO5S
Molecular Weight421.47 g/mol
Exact Mass421.10
IUPAC Name(4R,5S)-4-benzoyl-3-(4-methylphenyl)sulfonyl-5-phenyl-1,3-oxazolidin-2-one
SMILESCc1ccc(S(=O)(=O)N2C(=O)O[C@@H](c3ccccc3)[C@@H]2C(=O)c2ccccc2)cc1
InChIInChI=1S/C23H19NO5S/c1-16-12-14-19(15-13-16)30(27,28)24-20(21(25)17-8-4-2-5-9-17)22(29-23(24)26)18-10-6-3-7-11-18/h2-15,20,22H,1H3/t20-,22-/m0/s1
InChIKeyOPPHCAPVRGNKGR-UNMCSNQZSA-N
XLogP4.13
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.47
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(4-methylphenyl)sulfonyl-2-oxo-5-phenyl-1,3-oxazolidin-4-yl]pent-4-enal
CID 101163622
[3-methyl-1-(4-methylphenyl)sulfonylaziridin-2-yl]-phenylmethanone
CID 86089964
[3-ethyl-1-(4-methylphenyl)sulfonylaziridin-2-yl]-phenylmethanone
CID 134883970
[(1S,5R,6S,7R)-7-benzoyl-3-(4-methylphenyl)sulfonyl-3-azabicyclo[3.2.0]heptan-6-yl]-phenylmethanone
CID 11167059
(4S,5R)-5-cyclohexyl-3-(4-methylphenyl)sulfonyl-2-oxo-1,3-oxazolidine-4-carboxylic acid
CID 101220474
(4R,5R)-3-(4-methylphenyl)sulfonyl-2-oxo-5-pentyl-1,3-oxazolidine-4-carboxylic acid
CID 101220479
3-(4-methylphenyl)sulfonyl-4-(1-phenylethenyl)-1,3-oxazolidin-2-one
CID 15881202
2-[(2S,3R)-1-(4-methylphenyl)sulfonyl-2-(4-phenylbenzoyl)-2,3-dihydroindol-3-yl]-1-phenylethanone
CID 132916669
1-[(2S,4S,5R)-4-methyl-3-(4-methylphenyl)sulfonyl-5-phenyl-1,3-oxazolidin-2-yl]ethanone
CID 10937266
N-[5-benzyl-2-(4-methylphenyl)-3-(4-methylphenyl)sulfonyl-4-oxo-1,3-oxazolidin-5-yl]benzamide
CID 102112991
(2S,4R,5S)-4-methyl-3-(4-methylphenyl)sulfonyl-5-phenyloxathiazolidine 2-oxide
CID 69240394
4-ethenylidene-3-(4-methylphenyl)sulfonyl-5-phenyl-1,3-oxazolidin-2-one
CID 15314637

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-4-benzoyl-3-(4-methylphenyl)sulfonyl-5-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4R,5S)-4-benzoyl-3-(4-methylphenyl)sulfonyl-5-phenyl-1,3-oxazolidin-2-one (CID 11133598) is (4R,5S)-4-benzoyl-3-(4-methylphenyl)sulfonyl-5-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R,5S)-4-benzoyl-3-(4-methylphenyl)sulfonyl-5-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R,5S)-4-benzoyl-3-(4-methylphenyl)sulfonyl-5-phenyl-1,3-oxazolidin-2-one is Cc1ccc(S(=O)(=O)N2C(=O)O[C@@H](c3ccccc3)[C@@H]2C(=O)c2ccccc2)cc1.
What is the InChIKey of (4R,5S)-4-benzoyl-3-(4-methylphenyl)sulfonyl-5-phenyl-1,3-oxazolidin-2-one?
The InChIKey is OPPHCAPVRGNKGR-UNMCSNQZSA-N. The full InChI is InChI=1S/C23H19NO5S/c1-16-12-14-19(15-13-16)30(27,28)24-20(21(25)17-8-4-2-5-9-17)22(29-23(24)26)18-10-6-3-7-11-18/h2-15,20,22H,1H3/t20-,22-/m0/s1.
What are the key properties of (4R,5S)-4-benzoyl-3-(4-methylphenyl)sulfonyl-5-phenyl-1,3-oxazolidin-2-one?
(4R,5S)-4-benzoyl-3-(4-methylphenyl)sulfonyl-5-phenyl-1,3-oxazolidin-2-one has a molecular weight of 421.47 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-4-benzoyl-3-(4-methylphenyl)sulfonyl-5-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 11133598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).