2-(2,4-difluoro-5-methylphenyl)sulfonyl-1,2-oxazolidine

C10H11F2NO3S — CID 75520180

IUPAC2-(2,4-difluoro-5-methylphenyl)sulfonyl-1,2-oxazolidine
SMILESCc1cc(S(=O)(=O)N2CCCO2)c(F)cc1F
InChIInChI=1S/C10H11F2NO3S/c1-7-5-10(9(12)6-8(7)11)17(14,15)13-3-2-4-16-13/h5-6H,2-4H2,1H3
InChIKeyPJJADXURBZSLFO-UHFFFAOYSA-N
MW263.26 g/mol
LogP1.60
Rot. Bonds2

About 2-(2,4-difluoro-5-methylphenyl)sulfonyl-1,2-oxazolidine

2-(2,4-difluoro-5-methylphenyl)sulfonyl-1,2-oxazolidine (PubChem CID 75520180) has the molecular formula C10H11F2NO3S and a molecular weight of 263.26 g/mol. Its IUPAC name is 2-(2,4-difluoro-5-methylphenyl)sulfonyl-1,2-oxazolidine.

Molecular Properties

Compound Name2-(2,4-difluoro-5-methylphenyl)sulfonyl-1,2-oxazolidine
PubChem CID75520180
Molecular FormulaC10H11F2NO3S
Molecular Weight263.26 g/mol
Exact Mass263.04
IUPAC Name2-(2,4-difluoro-5-methylphenyl)sulfonyl-1,2-oxazolidine
SMILESCc1cc(S(=O)(=O)N2CCCO2)c(F)cc1F
InChIInChI=1S/C10H11F2NO3S/c1-7-5-10(9(12)6-8(7)11)17(14,15)13-3-2-4-16-13/h5-6H,2-4H2,1H3
InChIKeyPJJADXURBZSLFO-UHFFFAOYSA-N
XLogP1.60
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluoro-5-methylphenyl)sulfonyl-1,2-oxazolidine?
The IUPAC name of 2-(2,4-difluoro-5-methylphenyl)sulfonyl-1,2-oxazolidine (CID 75520180) is 2-(2,4-difluoro-5-methylphenyl)sulfonyl-1,2-oxazolidine.
What is the SMILES notation for 2-(2,4-difluoro-5-methylphenyl)sulfonyl-1,2-oxazolidine?
The canonical SMILES for 2-(2,4-difluoro-5-methylphenyl)sulfonyl-1,2-oxazolidine is Cc1cc(S(=O)(=O)N2CCCO2)c(F)cc1F.
What is the InChIKey of 2-(2,4-difluoro-5-methylphenyl)sulfonyl-1,2-oxazolidine?
The InChIKey is PJJADXURBZSLFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO3S/c1-7-5-10(9(12)6-8(7)11)17(14,15)13-3-2-4-16-13/h5-6H,2-4H2,1H3.
What are the key properties of 2-(2,4-difluoro-5-methylphenyl)sulfonyl-1,2-oxazolidine?
2-(2,4-difluoro-5-methylphenyl)sulfonyl-1,2-oxazolidine has a molecular weight of 263.26 g/mol, XLogP of 1.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluoro-5-methylphenyl)sulfonyl-1,2-oxazolidine is sourced from PubChem (CID 75520180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).