3-(4-methylphenyl)sulfonyl-4-(1-phenylethenyl)-1,3-oxazolidin-2-one

C18H17NO4S — CID 15881202

IUPAC3-(4-methylphenyl)sulfonyl-4-(1-phenylethenyl)-1,3-oxazolidin-2-one
SMILESC=C(c1ccccc1)C1COC(=O)N1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C18H17NO4S/c1-13-8-10-16(11-9-13)24(21,22)19-17(12-23-18(19)20)14(2)15-6-4-3-5-7-15/h3-11,17H,2,12H2,1H3
InChIKeyAJDFCHWZTDEKNB-UHFFFAOYSA-N
MW343.40 g/mol
LogP3.22
Rot. Bonds4

About 3-(4-methylphenyl)sulfonyl-4-(1-phenylethenyl)-1,3-oxazolidin-2-one

3-(4-methylphenyl)sulfonyl-4-(1-phenylethenyl)-1,3-oxazolidin-2-one (PubChem CID 15881202) has the molecular formula C18H17NO4S and a molecular weight of 343.40 g/mol. Its IUPAC name is 3-(4-methylphenyl)sulfonyl-4-(1-phenylethenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(4-methylphenyl)sulfonyl-4-(1-phenylethenyl)-1,3-oxazolidin-2-one
PubChem CID15881202
Molecular FormulaC18H17NO4S
Molecular Weight343.40 g/mol
Exact Mass343.09
IUPAC Name3-(4-methylphenyl)sulfonyl-4-(1-phenylethenyl)-1,3-oxazolidin-2-one
SMILESC=C(c1ccccc1)C1COC(=O)N1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C18H17NO4S/c1-13-8-10-16(11-9-13)24(21,22)19-17(12-23-18(19)20)14(2)15-6-4-3-5-7-15/h3-11,17H,2,12H2,1H3
InChIKeyAJDFCHWZTDEKNB-UHFFFAOYSA-N
XLogP3.22
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,5S)-2-methyl-1-(4-methylphenyl)sulfonyl-5-(1-phenylethenyl)pyrrolidine
CID 100958577
(4S)-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-3-(4-methylphenyl)sulfonyl-2-oxo-1,3-oxazolidine-4-carboxamide
CID 56590691
(2S,4S)-2-benzyl-1-(4-methylphenyl)sulfonyl-4-(1-phenylethenyl)azetidine
CID 15422060
5-benzyl-4-ethenyl-3-(4-methylphenyl)sulfonyl-1,3-oxazinan-2-one
CID 85109223
(2S)-2-[[(4S)-3-[2-[[(4S)-3-(4-methylphenyl)sulfonyl-2-oxo-1,3-oxazolidine-4-carbonyl]amino]-3-phenylpropanoyl]-2-oxo-1,3-oxazolidine-4-carbonyl]amino]-3-phenylpropanoic acid
CID 57328025
4-[(1R)-1-bromo-3-phenylpropyl]-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one
CID 164684995
4-(1-bromo-3-phenylpropyl)-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one
CID 102114055
(4R,5S)-4-benzoyl-3-(4-methylphenyl)sulfonyl-5-phenyl-1,3-oxazolidin-2-one
CID 11133598
(3R,4R)-1-(4-methylphenyl)sulfonyl-3-(1-phenylethenyl)piperidin-4-ol
CID 177395494
(4R,5R)-5-bromo-4-[(E)-but-2-en-2-yl]-3-(4-methylphenyl)sulfonyl-1,3-oxazinan-2-one
CID 139191972
1-(4-methylphenyl)sulfonyl-3-(1-phenylethenyl)-3,4-dihydro-2H-quinolin-4-ol
CID 122202753
1-(4-methylphenyl)sulfonyl-2-prop-1-en-2-yl-2,3-dihydroindole
CID 10519271

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)sulfonyl-4-(1-phenylethenyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-(4-methylphenyl)sulfonyl-4-(1-phenylethenyl)-1,3-oxazolidin-2-one (CID 15881202) is 3-(4-methylphenyl)sulfonyl-4-(1-phenylethenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(4-methylphenyl)sulfonyl-4-(1-phenylethenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(4-methylphenyl)sulfonyl-4-(1-phenylethenyl)-1,3-oxazolidin-2-one is C=C(c1ccccc1)C1COC(=O)N1S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 3-(4-methylphenyl)sulfonyl-4-(1-phenylethenyl)-1,3-oxazolidin-2-one?
The InChIKey is AJDFCHWZTDEKNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO4S/c1-13-8-10-16(11-9-13)24(21,22)19-17(12-23-18(19)20)14(2)15-6-4-3-5-7-15/h3-11,17H,2,12H2,1H3.
What are the key properties of 3-(4-methylphenyl)sulfonyl-4-(1-phenylethenyl)-1,3-oxazolidin-2-one?
3-(4-methylphenyl)sulfonyl-4-(1-phenylethenyl)-1,3-oxazolidin-2-one has a molecular weight of 343.40 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)sulfonyl-4-(1-phenylethenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 15881202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).