3-(4-methoxyphenyl)sulfonyl-1-(2-phenylethylsulfonyl)azetidine

C18H21NO5S2 — CID 72718921

IUPAC3-(4-methoxyphenyl)sulfonyl-1-(2-phenylethylsulfonyl)azetidine
SMILESCOc1ccc(S(=O)(=O)C2CN(S(=O)(=O)CCc3ccccc3)C2)cc1
InChIInChI=1S/C18H21NO5S2/c1-24-16-7-9-17(10-8-16)26(22,23)18-13-19(14-18)25(20,21)12-11-15-5-3-2-4-6-15/h2-10,18H,11-14H2,1H3
InChIKeyMLIWSMRATUZNCA-UHFFFAOYSA-N
MW395.50 g/mol
LogP1.73
Rot. Bonds7

About 3-(4-methoxyphenyl)sulfonyl-1-(2-phenylethylsulfonyl)azetidine

3-(4-methoxyphenyl)sulfonyl-1-(2-phenylethylsulfonyl)azetidine (PubChem CID 72718921) has the molecular formula C18H21NO5S2 and a molecular weight of 395.50 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)sulfonyl-1-(2-phenylethylsulfonyl)azetidine.

Molecular Properties

Compound Name3-(4-methoxyphenyl)sulfonyl-1-(2-phenylethylsulfonyl)azetidine
PubChem CID72718921
Molecular FormulaC18H21NO5S2
Molecular Weight395.50 g/mol
Exact Mass395.09
IUPAC Name3-(4-methoxyphenyl)sulfonyl-1-(2-phenylethylsulfonyl)azetidine
SMILESCOc1ccc(S(=O)(=O)C2CN(S(=O)(=O)CCc3ccccc3)C2)cc1
InChIInChI=1S/C18H21NO5S2/c1-24-16-7-9-17(10-8-16)26(22,23)18-13-19(14-18)25(20,21)12-11-15-5-3-2-4-6-15/h2-10,18H,11-14H2,1H3
InChIKeyMLIWSMRATUZNCA-UHFFFAOYSA-N
XLogP1.73
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-methoxyphenyl)sulfonyl-1-propylsulfonylazetidine
CID 90593675
1-[2-(4-methoxyphenyl)ethylsulfonyl]-4-(4-methoxyphenyl)sulfonylpiperidine
CID 90592047
3-(4-methoxyphenyl)sulfonyl-1-methylsulfonylazetidine
CID 72718913
4-(4-methoxyphenyl)sulfonyl-1-(2-phenylethylsulfonyl)piperidine-4-carboxylic acid
CID 70323062
(4-methoxyphenyl)-[1-(2-phenylethylsulfonyl)piperidin-4-yl]methanone
CID 94244239
4-(4-methoxyphenyl)sulfonyl-1-propylsulfonylpiperidine
CID 90592067
3-(4-chlorophenyl)sulfonyl-1-(4-methoxyphenyl)sulfonylazetidine
CID 90595223
1-methoxy-4-(3-phenylpropylsulfonyl)benzene
CID 54270820
1-(2,6-difluorophenyl)sulfonyl-3-(4-methoxyphenyl)sulfonylazetidine
CID 90593630
3-(4-bromophenyl)-1-[3-(4-methoxyphenyl)sulfonylazetidin-1-yl]propan-1-one
CID 90593413
1-(4-methoxyphenyl)sulfonyl-4-[(2R)-4-phenylbutan-2-yl]piperazine
CID 1151854
1-(4-methoxyphenyl)sulfonyl-4-[(2S)-4-phenylbutan-2-yl]piperazine
CID 1151852

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)sulfonyl-1-(2-phenylethylsulfonyl)azetidine?
The IUPAC name of 3-(4-methoxyphenyl)sulfonyl-1-(2-phenylethylsulfonyl)azetidine (CID 72718921) is 3-(4-methoxyphenyl)sulfonyl-1-(2-phenylethylsulfonyl)azetidine.
What is the SMILES notation for 3-(4-methoxyphenyl)sulfonyl-1-(2-phenylethylsulfonyl)azetidine?
The canonical SMILES for 3-(4-methoxyphenyl)sulfonyl-1-(2-phenylethylsulfonyl)azetidine is COc1ccc(S(=O)(=O)C2CN(S(=O)(=O)CCc3ccccc3)C2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)sulfonyl-1-(2-phenylethylsulfonyl)azetidine?
The InChIKey is MLIWSMRATUZNCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO5S2/c1-24-16-7-9-17(10-8-16)26(22,23)18-13-19(14-18)25(20,21)12-11-15-5-3-2-4-6-15/h2-10,18H,11-14H2,1H3.
What are the key properties of 3-(4-methoxyphenyl)sulfonyl-1-(2-phenylethylsulfonyl)azetidine?
3-(4-methoxyphenyl)sulfonyl-1-(2-phenylethylsulfonyl)azetidine has a molecular weight of 395.50 g/mol, XLogP of 1.73, 7 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-(2-phenylethylsulfonyl)azetidine is sourced from PubChem (CID 72718921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).