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

C11H13NO4S — CID 15902689

IUPAC5-methyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one
SMILESCc1ccc(S(=O)(=O)N2CC(C)OC2=O)cc1
InChIInChI=1S/C11H13NO4S/c1-8-3-5-10(6-4-8)17(14,15)12-7-9(2)16-11(12)13/h3-6,9H,7H2,1-2H3
InChIKeyNWFQPJLNOLVTRD-UHFFFAOYSA-N
MW255.30 g/mol
LogP1.52
Rot. Bonds2

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

5-methyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one (PubChem CID 15902689) has the molecular formula C11H13NO4S and a molecular weight of 255.30 g/mol. Its IUPAC name is 5-methyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-methyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one
PubChem CID15902689
Molecular FormulaC11H13NO4S
Molecular Weight255.30 g/mol
Exact Mass255.06
IUPAC Name5-methyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one
SMILESCc1ccc(S(=O)(=O)N2CC(C)OC2=O)cc1
InChIInChI=1S/C11H13NO4S/c1-8-3-5-10(6-4-8)17(14,15)12-7-9(2)16-11(12)13/h3-6,9H,7H2,1-2H3
InChIKeyNWFQPJLNOLVTRD-UHFFFAOYSA-N
XLogP1.52
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one?
The IUPAC name of 5-methyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one (CID 15902689) is 5-methyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-methyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one?
The canonical SMILES for 5-methyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one is Cc1ccc(S(=O)(=O)N2CC(C)OC2=O)cc1.
What is the InChIKey of 5-methyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one?
The InChIKey is NWFQPJLNOLVTRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4S/c1-8-3-5-10(6-4-8)17(14,15)12-7-9(2)16-11(12)13/h3-6,9H,7H2,1-2H3.
What are the key properties of 5-methyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one?
5-methyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one has a molecular weight of 255.30 g/mol, XLogP of 1.52, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 15902689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).