3-(4-methylphenyl)sulfonyl-2-(trichloromethyl)-1,3-oxazolidine

C11H12Cl3NO3S — CID 3115452

IUPAC3-(4-methylphenyl)sulfonyl-2-(trichloromethyl)-1,3-oxazolidine
SMILESCc1ccc(S(=O)(=O)N2CCOC2C(Cl)(Cl)Cl)cc1
InChIInChI=1S/C11H12Cl3NO3S/c1-8-2-4-9(5-3-8)19(16,17)15-6-7-18-10(15)11(12,13)14/h2-5,10H,6-7H2,1H3
InChIKeyDMWYFTFGYLAAPO-UHFFFAOYSA-N
MW344.65 g/mol
LogP2.71
Rot. Bonds2

About 3-(4-methylphenyl)sulfonyl-2-(trichloromethyl)-1,3-oxazolidine

3-(4-methylphenyl)sulfonyl-2-(trichloromethyl)-1,3-oxazolidine (PubChem CID 3115452) has the molecular formula C11H12Cl3NO3S and a molecular weight of 344.65 g/mol. Its IUPAC name is 3-(4-methylphenyl)sulfonyl-2-(trichloromethyl)-1,3-oxazolidine.

Molecular Properties

Compound Name3-(4-methylphenyl)sulfonyl-2-(trichloromethyl)-1,3-oxazolidine
PubChem CID3115452
Molecular FormulaC11H12Cl3NO3S
Molecular Weight344.65 g/mol
Exact Mass342.96
IUPAC Name3-(4-methylphenyl)sulfonyl-2-(trichloromethyl)-1,3-oxazolidine
SMILESCc1ccc(S(=O)(=O)N2CCOC2C(Cl)(Cl)Cl)cc1
InChIInChI=1S/C11H12Cl3NO3S/c1-8-2-4-9(5-3-8)19(16,17)15-6-7-18-10(15)11(12,13)14/h2-5,10H,6-7H2,1H3
InChIKeyDMWYFTFGYLAAPO-UHFFFAOYSA-N
XLogP2.71
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.65
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)sulfonyl-2-(trichloromethyl)-1,3-oxazolidine?
The IUPAC name of 3-(4-methylphenyl)sulfonyl-2-(trichloromethyl)-1,3-oxazolidine (CID 3115452) is 3-(4-methylphenyl)sulfonyl-2-(trichloromethyl)-1,3-oxazolidine.
What is the SMILES notation for 3-(4-methylphenyl)sulfonyl-2-(trichloromethyl)-1,3-oxazolidine?
The canonical SMILES for 3-(4-methylphenyl)sulfonyl-2-(trichloromethyl)-1,3-oxazolidine is Cc1ccc(S(=O)(=O)N2CCOC2C(Cl)(Cl)Cl)cc1.
What is the InChIKey of 3-(4-methylphenyl)sulfonyl-2-(trichloromethyl)-1,3-oxazolidine?
The InChIKey is DMWYFTFGYLAAPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl3NO3S/c1-8-2-4-9(5-3-8)19(16,17)15-6-7-18-10(15)11(12,13)14/h2-5,10H,6-7H2,1H3.
What are the key properties of 3-(4-methylphenyl)sulfonyl-2-(trichloromethyl)-1,3-oxazolidine?
3-(4-methylphenyl)sulfonyl-2-(trichloromethyl)-1,3-oxazolidine has a molecular weight of 344.65 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)sulfonyl-2-(trichloromethyl)-1,3-oxazolidine is sourced from PubChem (CID 3115452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).