(4R)-4-(4-methylsulfonylphenyl)-1,3-oxazolidin-2-one;hydrochloride

C10H12ClNO4S — CID 171184265

IUPAC(4R)-4-(4-methylsulfonylphenyl)-1,3-oxazolidin-2-one;hydrochloride
SMILESCS(=O)(=O)c1ccc([C@@H]2COC(=O)N2)cc1.Cl
InChIInChI=1S/C10H11NO4S.ClH/c1-16(13,14)8-4-2-7(3-5-8)9-6-15-10(12)11-9;/h2-5,9H,6H2,1H3,(H,11,12);1H/t9-;/m0./s1
InChIKeyZOBLZZFVKBUTSX-FVGYRXGTSA-N
MW277.73 g/mol
LogP1.29
Rot. Bonds2

About (4R)-4-(4-methylsulfonylphenyl)-1,3-oxazolidin-2-one;hydrochloride

(4R)-4-(4-methylsulfonylphenyl)-1,3-oxazolidin-2-one;hydrochloride (PubChem CID 171184265) has the molecular formula C10H12ClNO4S and a molecular weight of 277.73 g/mol. Its IUPAC name is (4R)-4-(4-methylsulfonylphenyl)-1,3-oxazolidin-2-one;hydrochloride.

Molecular Properties

Compound Name(4R)-4-(4-methylsulfonylphenyl)-1,3-oxazolidin-2-one;hydrochloride
PubChem CID171184265
Molecular FormulaC10H12ClNO4S
Molecular Weight277.73 g/mol
Exact Mass277.02
IUPAC Name(4R)-4-(4-methylsulfonylphenyl)-1,3-oxazolidin-2-one;hydrochloride
SMILESCS(=O)(=O)c1ccc([C@@H]2COC(=O)N2)cc1.Cl
InChIInChI=1S/C10H11NO4S.ClH/c1-16(13,14)8-4-2-7(3-5-8)9-6-15-10(12)11-9;/h2-5,9H,6H2,1H3,(H,11,12);1H/t9-;/m0./s1
InChIKeyZOBLZZFVKBUTSX-FVGYRXGTSA-N
XLogP1.29
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.73
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-4-(4-fluorophenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171184269
(4R)-4-phenyl-1,3-oxazolidin-2-one;hydrochloride
CID 171184730
(4R)-4-(4-propan-2-ylphenyl)-1,3-oxazolidin-2-one
CID 170782739
(4R)-4-(4-nitrophenyl)-1,3-oxazolidin-2-one
CID 12065059
ethane;ethene;4-phenyl-1,3-oxazolidin-2-one
CID 144602725
(4S)-4-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
CID 124509749
(3S)-3-(4-methylsulfonylphenyl)morpholine;hydrochloride
CID 171192994
(4S)-4-(3,5-dimethylphenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171183820
(2R)-2-(4-methylsulfonylphenyl)piperidine;hydrochloride
CID 171195302
(4S)-4-(3-fluoro-4-methylphenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171183858
(4R)-4-(3-bromo-4-methylphenyl)-1,3-oxazolidin-2-one
CID 171184420
4-(3,4-dihydroxyphenyl)-1,3-oxazolidin-2-one
CID 130144619

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(4-methylsulfonylphenyl)-1,3-oxazolidin-2-one;hydrochloride?
The IUPAC name of (4R)-4-(4-methylsulfonylphenyl)-1,3-oxazolidin-2-one;hydrochloride (CID 171184265) is (4R)-4-(4-methylsulfonylphenyl)-1,3-oxazolidin-2-one;hydrochloride.
What is the SMILES notation for (4R)-4-(4-methylsulfonylphenyl)-1,3-oxazolidin-2-one;hydrochloride?
The canonical SMILES for (4R)-4-(4-methylsulfonylphenyl)-1,3-oxazolidin-2-one;hydrochloride is CS(=O)(=O)c1ccc([C@@H]2COC(=O)N2)cc1.Cl.
What is the InChIKey of (4R)-4-(4-methylsulfonylphenyl)-1,3-oxazolidin-2-one;hydrochloride?
The InChIKey is ZOBLZZFVKBUTSX-FVGYRXGTSA-N. The full InChI is InChI=1S/C10H11NO4S.ClH/c1-16(13,14)8-4-2-7(3-5-8)9-6-15-10(12)11-9;/h2-5,9H,6H2,1H3,(H,11,12);1H/t9-;/m0./s1.
What are the key properties of (4R)-4-(4-methylsulfonylphenyl)-1,3-oxazolidin-2-one;hydrochloride?
(4R)-4-(4-methylsulfonylphenyl)-1,3-oxazolidin-2-one;hydrochloride has a molecular weight of 277.73 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(4-methylsulfonylphenyl)-1,3-oxazolidin-2-one;hydrochloride is sourced from PubChem (CID 171184265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).