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

C10H11NO4S — CID 809333

IUPAC3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one
SMILESCc1ccc(S(=O)(=O)N2CCOC2=O)cc1
InChIInChI=1S/C10H11NO4S/c1-8-2-4-9(5-3-8)16(13,14)11-6-7-15-10(11)12/h2-5H,6-7H2,1H3
InChIKeyQACYAFZJCVCAQA-UHFFFAOYSA-N
MW241.27 g/mol
LogP1.14
Rot. Bonds2

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

3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one (PubChem CID 809333) has the molecular formula C10H11NO4S and a molecular weight of 241.27 g/mol. Its IUPAC name is 3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one
PubChem CID809333
Molecular FormulaC10H11NO4S
Molecular Weight241.27 g/mol
Exact Mass241.04
IUPAC Name3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one
SMILESCc1ccc(S(=O)(=O)N2CCOC2=O)cc1
InChIInChI=1S/C10H11NO4S/c1-8-2-4-9(5-3-8)16(13,14)11-6-7-15-10(11)12/h2-5H,6-7H2,1H3
InChIKeyQACYAFZJCVCAQA-UHFFFAOYSA-N
XLogP1.14
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one (CID 809333) is 3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one is Cc1ccc(S(=O)(=O)N2CCOC2=O)cc1.
What is the InChIKey of 3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one?
The InChIKey is QACYAFZJCVCAQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO4S/c1-8-2-4-9(5-3-8)16(13,14)11-6-7-15-10(11)12/h2-5H,6-7H2,1H3.
What are the key properties of 3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one?
3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one has a molecular weight of 241.27 g/mol, XLogP of 1.14, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 809333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).