3-(4-methoxyphenyl)sulfonyl-1-methylsulfonylazetidine

C11H15NO5S2 — CID 72718913

IUPAC3-(4-methoxyphenyl)sulfonyl-1-methylsulfonylazetidine
SMILESCOc1ccc(S(=O)(=O)C2CN(S(C)(=O)=O)C2)cc1
InChIInChI=1S/C11H15NO5S2/c1-17-9-3-5-10(6-4-9)19(15,16)11-7-12(8-11)18(2,13)14/h3-6,11H,7-8H2,1-2H3
InChIKeyUPSLULPMDSTEMT-UHFFFAOYSA-N
MW305.38 g/mol
LogP0.11
Rot. Bonds4

About 3-(4-methoxyphenyl)sulfonyl-1-methylsulfonylazetidine

3-(4-methoxyphenyl)sulfonyl-1-methylsulfonylazetidine (PubChem CID 72718913) has the molecular formula C11H15NO5S2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)sulfonyl-1-methylsulfonylazetidine.

Molecular Properties

Compound Name3-(4-methoxyphenyl)sulfonyl-1-methylsulfonylazetidine
PubChem CID72718913
Molecular FormulaC11H15NO5S2
Molecular Weight305.38 g/mol
Exact Mass305.04
IUPAC Name3-(4-methoxyphenyl)sulfonyl-1-methylsulfonylazetidine
SMILESCOc1ccc(S(=O)(=O)C2CN(S(C)(=O)=O)C2)cc1
InChIInChI=1S/C11H15NO5S2/c1-17-9-3-5-10(6-4-9)19(15,16)11-7-12(8-11)18(2,13)14/h3-6,11H,7-8H2,1-2H3
InChIKeyUPSLULPMDSTEMT-UHFFFAOYSA-N
XLogP0.11
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 50.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-chlorophenyl)sulfonyl-1-(4-methoxyphenyl)sulfonylazetidine
CID 90595223
3-(4-methoxyphenyl)sulfonyl-1-propylsulfonylazetidine
CID 90593675
1-(2,6-difluorophenyl)sulfonyl-3-(4-methoxyphenyl)sulfonylazetidine
CID 90593630
3-(4-methoxyphenyl)sulfonyl-1-(2-phenylethylsulfonyl)azetidine
CID 72718921
1-(4-fluoro-3-methylphenyl)sulfonyl-3-(4-methoxyphenyl)sulfonylazetidine
CID 90593624
1-[3-(4-methoxyphenyl)sulfonylazetidin-1-yl]-2,2-dimethylpropan-1-one
CID 90593284
5-[3-(4-methoxyphenyl)sulfonylazetidin-1-yl]sulfonyl-1H-imidazole
CID 90593680
1-(5-chloro-2-methoxyphenyl)sulfonyl-3-(4-methoxyphenyl)sulfonylazetidine
CID 72718927
1-[4-(3,4-dichlorophenyl)phenyl]sulfonyl-3-(4-methoxyphenyl)sulfonylazetidine
CID 90593700
1-(5-chloro-2-methylphenyl)sulfonyl-3-(4-methoxyphenyl)sulfonylazetidine
CID 90593644
1-hydroxy-4-(4-methoxyphenyl)sulfonylpiperidine
CID 122445486
4-(4-methoxyphenyl)sulfonyl-1-propylsulfonylpiperidine
CID 90592067

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)sulfonyl-1-methylsulfonylazetidine?
The IUPAC name of 3-(4-methoxyphenyl)sulfonyl-1-methylsulfonylazetidine (CID 72718913) is 3-(4-methoxyphenyl)sulfonyl-1-methylsulfonylazetidine.
What is the SMILES notation for 3-(4-methoxyphenyl)sulfonyl-1-methylsulfonylazetidine?
The canonical SMILES for 3-(4-methoxyphenyl)sulfonyl-1-methylsulfonylazetidine is COc1ccc(S(=O)(=O)C2CN(S(C)(=O)=O)C2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)sulfonyl-1-methylsulfonylazetidine?
The InChIKey is UPSLULPMDSTEMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO5S2/c1-17-9-3-5-10(6-4-9)19(15,16)11-7-12(8-11)18(2,13)14/h3-6,11H,7-8H2,1-2H3.
What are the key properties of 3-(4-methoxyphenyl)sulfonyl-1-methylsulfonylazetidine?
3-(4-methoxyphenyl)sulfonyl-1-methylsulfonylazetidine has a molecular weight of 305.38 g/mol, XLogP of 0.11, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)sulfonyl-1-methylsulfonylazetidine is sourced from PubChem (CID 72718913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).