4-ethenylidene-3-(4-methylphenyl)sulfonyl-5-phenyl-1,3-oxazolidin-2-one

C18H15NO4S — CID 15314637

IUPAC4-ethenylidene-3-(4-methylphenyl)sulfonyl-5-phenyl-1,3-oxazolidin-2-one
SMILESC=C=C1C(c2ccccc2)OC(=O)N1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C18H15NO4S/c1-3-16-17(14-7-5-4-6-8-14)23-18(20)19(16)24(21,22)15-11-9-13(2)10-12-15/h4-12,17H,1H2,2H3
InChIKeyRHVKRUWIHVONIL-UHFFFAOYSA-N
MW341.39 g/mol
LogP3.55
Rot. Bonds3

About 4-ethenylidene-3-(4-methylphenyl)sulfonyl-5-phenyl-1,3-oxazolidin-2-one

4-ethenylidene-3-(4-methylphenyl)sulfonyl-5-phenyl-1,3-oxazolidin-2-one (PubChem CID 15314637) has the molecular formula C18H15NO4S and a molecular weight of 341.39 g/mol. Its IUPAC name is 4-ethenylidene-3-(4-methylphenyl)sulfonyl-5-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-ethenylidene-3-(4-methylphenyl)sulfonyl-5-phenyl-1,3-oxazolidin-2-one
PubChem CID15314637
Molecular FormulaC18H15NO4S
Molecular Weight341.39 g/mol
Exact Mass341.07
IUPAC Name4-ethenylidene-3-(4-methylphenyl)sulfonyl-5-phenyl-1,3-oxazolidin-2-one
SMILESC=C=C1C(c2ccccc2)OC(=O)N1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C18H15NO4S/c1-3-16-17(14-7-5-4-6-8-14)23-18(20)19(16)24(21,22)15-11-9-13(2)10-12-15/h4-12,17H,1H2,2H3
InChIKeyRHVKRUWIHVONIL-UHFFFAOYSA-N
XLogP3.55
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methylphenyl)sulfonyl-3-phenyloxaziridine
CID 10967742
(4R,5S)-4-benzoyl-3-(4-methylphenyl)sulfonyl-5-phenyl-1,3-oxazolidin-2-one
CID 11133598
trimethyl-[(2R,3S)-1-(4-methylphenyl)sulfonyl-3-phenylaziridin-2-yl]silane
CID 15500792
1-(4-methylphenyl)sulfonyl-2-phenylaziridine
CID 576319
2-methyl-3-methylidene-4-(4-methylphenyl)sulfonyl-1,4-benzoxazine
CID 139233340
(4R)-4-bromo-5-methyl-2-(4-methylphenyl)sulfonyl-3-phenyl-1,2-oxazolidine
CID 102196509
1-(4-methylphenyl)sulfonyl-6-phenyl-2,6-dihydropyridin-3-one
CID 102530463
(4R,5R)-1,3-bis-(4-methylphenyl)sulfonyl-2-(2-methylprop-2-enyl)-4,5-diphenyl-1,3,2-diazaborolidine
CID 134906244
4-[3-(4-methylphenyl)sulfonyl-2-oxo-5-phenyl-1,3-oxazolidin-4-yl]pent-4-enal
CID 101163622
4-hex-5-enyl-1-(4-methylphenyl)sulfonyl-4H-3,1-benzoxazin-2-one
CID 10643814
4-(4-methylphenyl)sulfonyl-2-phenyl-2,3-dihydro-1,4-benzoxazine
CID 86212473
3,6,9-tris-(4-methylphenyl)sulfonyl-3,6,9-triazatetracyclo[6.1.0.02,4.05,7]nonane
CID 12599628

Frequently Asked Questions

What is the IUPAC name of 4-ethenylidene-3-(4-methylphenyl)sulfonyl-5-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of 4-ethenylidene-3-(4-methylphenyl)sulfonyl-5-phenyl-1,3-oxazolidin-2-one (CID 15314637) is 4-ethenylidene-3-(4-methylphenyl)sulfonyl-5-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-ethenylidene-3-(4-methylphenyl)sulfonyl-5-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for 4-ethenylidene-3-(4-methylphenyl)sulfonyl-5-phenyl-1,3-oxazolidin-2-one is C=C=C1C(c2ccccc2)OC(=O)N1S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 4-ethenylidene-3-(4-methylphenyl)sulfonyl-5-phenyl-1,3-oxazolidin-2-one?
The InChIKey is RHVKRUWIHVONIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO4S/c1-3-16-17(14-7-5-4-6-8-14)23-18(20)19(16)24(21,22)15-11-9-13(2)10-12-15/h4-12,17H,1H2,2H3.
What are the key properties of 4-ethenylidene-3-(4-methylphenyl)sulfonyl-5-phenyl-1,3-oxazolidin-2-one?
4-ethenylidene-3-(4-methylphenyl)sulfonyl-5-phenyl-1,3-oxazolidin-2-one has a molecular weight of 341.39 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenylidene-3-(4-methylphenyl)sulfonyl-5-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 15314637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).