3-[(4-chlorophenyl)methylsulfonyl]-2-methyl-1,3-oxazolidine

C11H14ClNO3S — CID 110740261

IUPAC3-[(4-chlorophenyl)methylsulfonyl]-2-methyl-1,3-oxazolidine
SMILESCC1OCCN1S(=O)(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C11H14ClNO3S/c1-9-13(6-7-16-9)17(14,15)8-10-2-4-11(12)5-3-10/h2-5,9H,6-8H2,1H3
InChIKeyWZWMCLWJTVBYHF-UHFFFAOYSA-N
MW275.76 g/mol
LogP1.85
Rot. Bonds3

About 3-[(4-chlorophenyl)methylsulfonyl]-2-methyl-1,3-oxazolidine

3-[(4-chlorophenyl)methylsulfonyl]-2-methyl-1,3-oxazolidine (PubChem CID 110740261) has the molecular formula C11H14ClNO3S and a molecular weight of 275.76 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methylsulfonyl]-2-methyl-1,3-oxazolidine.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methylsulfonyl]-2-methyl-1,3-oxazolidine
PubChem CID110740261
Molecular FormulaC11H14ClNO3S
Molecular Weight275.76 g/mol
Exact Mass275.04
IUPAC Name3-[(4-chlorophenyl)methylsulfonyl]-2-methyl-1,3-oxazolidine
SMILESCC1OCCN1S(=O)(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C11H14ClNO3S/c1-9-13(6-7-16-9)17(14,15)8-10-2-4-11(12)5-3-10/h2-5,9H,6-8H2,1H3
InChIKeyWZWMCLWJTVBYHF-UHFFFAOYSA-N
XLogP1.85
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.76
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-chlorophenyl)methylsulfonyl]-2,4-dimethylpiperazine
CID 110707864
3-[(4-chlorophenyl)methylsulfonyl]-2,4,4-trimethyl-1,3-oxazolidine
CID 110740905
3-(5-chloro-2-methoxyphenyl)sulfonyl-2-methyl-1,3-oxazolidine
CID 110740287
3-(benzenesulfonyl)-2-methyl-1,3-oxazolidine
CID 110740223
4-[(4-chlorophenyl)methylsulfonyl]-5-methyl-2-(4-methylphenyl)morpholine
CID 110369540
3-methyl-4-[(4-methylphenyl)methylsulfonyl]-2-phenylmorpholine
CID 110728479
4-[(4-methylphenyl)methylsulfonyl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
CID 110314596
1-(4-chlorophenyl)-N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]methanesulfonamide
CID 110345689
1-[(4-chlorophenyl)methylsulfonyl]-3-methyl-2,3-dihydroindole
CID 110751917
2-[2-[(2-methyl-1,3-oxazolidin-3-yl)sulfonyl]ethyl]isoindole-1,3-dione
CID 110740221
3-(3-chloro-4-methylphenyl)sulfonyl-2-methyl-1,3-oxazolidine
CID 110740254
6-[(4-chlorophenyl)methylsulfonyl]-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane
CID 25191329

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)methylsulfonyl]-2-methyl-1,3-oxazolidine?
The IUPAC name of 3-[(4-chlorophenyl)methylsulfonyl]-2-methyl-1,3-oxazolidine (CID 110740261) is 3-[(4-chlorophenyl)methylsulfonyl]-2-methyl-1,3-oxazolidine.
What is the SMILES notation for 3-[(4-chlorophenyl)methylsulfonyl]-2-methyl-1,3-oxazolidine?
The canonical SMILES for 3-[(4-chlorophenyl)methylsulfonyl]-2-methyl-1,3-oxazolidine is CC1OCCN1S(=O)(=O)Cc1ccc(Cl)cc1.
What is the InChIKey of 3-[(4-chlorophenyl)methylsulfonyl]-2-methyl-1,3-oxazolidine?
The InChIKey is WZWMCLWJTVBYHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO3S/c1-9-13(6-7-16-9)17(14,15)8-10-2-4-11(12)5-3-10/h2-5,9H,6-8H2,1H3.
What are the key properties of 3-[(4-chlorophenyl)methylsulfonyl]-2-methyl-1,3-oxazolidine?
3-[(4-chlorophenyl)methylsulfonyl]-2-methyl-1,3-oxazolidine has a molecular weight of 275.76 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)methylsulfonyl]-2-methyl-1,3-oxazolidine is sourced from PubChem (CID 110740261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).