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

C13H18ClNO3S — CID 110740905

IUPAC3-[(4-chlorophenyl)methylsulfonyl]-2,4,4-trimethyl-1,3-oxazolidine
SMILESCC1OCC(C)(C)N1S(=O)(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C13H18ClNO3S/c1-10-15(13(2,3)9-18-10)19(16,17)8-11-4-6-12(14)7-5-11/h4-7,10H,8-9H2,1-3H3
InChIKeyMSHXHJSPYXAJSK-UHFFFAOYSA-N
MW303.81 g/mol
LogP2.63
Rot. Bonds3

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

3-[(4-chlorophenyl)methylsulfonyl]-2,4,4-trimethyl-1,3-oxazolidine (PubChem CID 110740905) has the molecular formula C13H18ClNO3S and a molecular weight of 303.81 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methylsulfonyl]-2,4,4-trimethyl-1,3-oxazolidine.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methylsulfonyl]-2,4,4-trimethyl-1,3-oxazolidine
PubChem CID110740905
Molecular FormulaC13H18ClNO3S
Molecular Weight303.81 g/mol
Exact Mass303.07
IUPAC Name3-[(4-chlorophenyl)methylsulfonyl]-2,4,4-trimethyl-1,3-oxazolidine
SMILESCC1OCC(C)(C)N1S(=O)(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C13H18ClNO3S/c1-10-15(13(2,3)9-18-10)19(16,17)8-11-4-6-12(14)7-5-11/h4-7,10H,8-9H2,1-3H3
InChIKeyMSHXHJSPYXAJSK-UHFFFAOYSA-N
XLogP2.63
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.81
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[(4-chlorophenyl)methylsulfonyl]-2,4,4-trimethyl-1,3-oxazolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(2-chlorophenyl)methylsulfonyl]-2,4,4-trimethyl-1,3-oxazolidine
CID 110740904
3-[(4-chlorophenyl)methylsulfonyl]-2-methyl-1,3-oxazolidine
CID 110740261
6-[(4-chlorophenyl)methylsulfonyl]-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane
CID 25191329
2-(4-chlorophenoxy)-1-(2,4,4-trimethyl-1,3-oxazolidin-3-yl)ethanone
CID 110740805
1-[(4-chlorophenyl)methylsulfonyl]-2,4-dimethylpiperazine
CID 110707864
5-[(4-chlorophenyl)methylsulfonyl]-1,2,5-triazaspiro[2.3]hex-1-ene
CID 138047786
4-[(4-chlorophenyl)methylsulfonyl]-5-methyl-2-(4-methylphenyl)morpholine
CID 110369540
1-benzyl-4-[(4-chlorophenyl)methylsulfonyl]-2,6-dimethylpiperazine
CID 110393938
1-[(4-chlorophenyl)methylsulfonyl]-3-methyl-2,3-dihydroindole
CID 110751917
sodium (4-chlorophenyl)methanesulfonate
CID 23691083
2-benzyl-5,5-dimethyl-4-[(4-methylphenyl)methylsulfonyl]morpholine
CID 110643844
1-(4-chlorophenyl)-N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]methanesulfonamide
CID 110345689

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)methylsulfonyl]-2,4,4-trimethyl-1,3-oxazolidine?
The IUPAC name of 3-[(4-chlorophenyl)methylsulfonyl]-2,4,4-trimethyl-1,3-oxazolidine (CID 110740905) is 3-[(4-chlorophenyl)methylsulfonyl]-2,4,4-trimethyl-1,3-oxazolidine.
What is the SMILES notation for 3-[(4-chlorophenyl)methylsulfonyl]-2,4,4-trimethyl-1,3-oxazolidine?
The canonical SMILES for 3-[(4-chlorophenyl)methylsulfonyl]-2,4,4-trimethyl-1,3-oxazolidine is CC1OCC(C)(C)N1S(=O)(=O)Cc1ccc(Cl)cc1.
What is the InChIKey of 3-[(4-chlorophenyl)methylsulfonyl]-2,4,4-trimethyl-1,3-oxazolidine?
The InChIKey is MSHXHJSPYXAJSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO3S/c1-10-15(13(2,3)9-18-10)19(16,17)8-11-4-6-12(14)7-5-11/h4-7,10H,8-9H2,1-3H3.
What are the key properties of 3-[(4-chlorophenyl)methylsulfonyl]-2,4,4-trimethyl-1,3-oxazolidine?
3-[(4-chlorophenyl)methylsulfonyl]-2,4,4-trimethyl-1,3-oxazolidine has a molecular weight of 303.81 g/mol, XLogP of 2.63, 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]-2,4,4-trimethyl-1,3-oxazolidine is sourced from PubChem (CID 110740905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).