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

C13H19NO5S2 — CID 90593675

IUPAC3-(4-methoxyphenyl)sulfonyl-1-propylsulfonylazetidine
SMILESCCCS(=O)(=O)N1CC(S(=O)(=O)c2ccc(OC)cc2)C1
InChIInChI=1S/C13H19NO5S2/c1-3-8-20(15,16)14-9-13(10-14)21(17,18)12-6-4-11(19-2)5-7-12/h4-7,13H,3,8-10H2,1-2H3
InChIKeyNASPOSOYINJNFB-UHFFFAOYSA-N
MW333.43 g/mol
LogP0.89
Rot. Bonds6

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

3-(4-methoxyphenyl)sulfonyl-1-propylsulfonylazetidine (PubChem CID 90593675) has the molecular formula C13H19NO5S2 and a molecular weight of 333.43 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)sulfonyl-1-propylsulfonylazetidine.

Molecular Properties

Compound Name3-(4-methoxyphenyl)sulfonyl-1-propylsulfonylazetidine
PubChem CID90593675
Molecular FormulaC13H19NO5S2
Molecular Weight333.43 g/mol
Exact Mass333.07
IUPAC Name3-(4-methoxyphenyl)sulfonyl-1-propylsulfonylazetidine
SMILESCCCS(=O)(=O)N1CC(S(=O)(=O)c2ccc(OC)cc2)C1
InChIInChI=1S/C13H19NO5S2/c1-3-8-20(15,16)14-9-13(10-14)21(17,18)12-6-4-11(19-2)5-7-12/h4-7,13H,3,8-10H2,1-2H3
InChIKeyNASPOSOYINJNFB-UHFFFAOYSA-N
XLogP0.89
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-methoxyphenyl)sulfonyl-1-propylsulfonylpiperidine
CID 90592067
3-(4-methoxyphenyl)sulfonyl-1-(2-phenylethylsulfonyl)azetidine
CID 72718921
3-(4-methoxyphenyl)sulfonyl-1-methylsulfonylazetidine
CID 72718913
3-(4-chlorophenyl)sulfonyl-1-(4-methoxyphenyl)sulfonylazetidine
CID 90595223
1-[2-(4-methoxyphenyl)ethylsulfonyl]-4-(4-methoxyphenyl)sulfonylpiperidine
CID 90592047
1-(2,6-difluorophenyl)sulfonyl-3-(4-methoxyphenyl)sulfonylazetidine
CID 90593630
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

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)sulfonyl-1-propylsulfonylazetidine?
The IUPAC name of 3-(4-methoxyphenyl)sulfonyl-1-propylsulfonylazetidine (CID 90593675) is 3-(4-methoxyphenyl)sulfonyl-1-propylsulfonylazetidine.
What is the SMILES notation for 3-(4-methoxyphenyl)sulfonyl-1-propylsulfonylazetidine?
The canonical SMILES for 3-(4-methoxyphenyl)sulfonyl-1-propylsulfonylazetidine is CCCS(=O)(=O)N1CC(S(=O)(=O)c2ccc(OC)cc2)C1.
What is the InChIKey of 3-(4-methoxyphenyl)sulfonyl-1-propylsulfonylazetidine?
The InChIKey is NASPOSOYINJNFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO5S2/c1-3-8-20(15,16)14-9-13(10-14)21(17,18)12-6-4-11(19-2)5-7-12/h4-7,13H,3,8-10H2,1-2H3.
What are the key properties of 3-(4-methoxyphenyl)sulfonyl-1-propylsulfonylazetidine?
3-(4-methoxyphenyl)sulfonyl-1-propylsulfonylazetidine has a molecular weight of 333.43 g/mol, XLogP of 0.89, 6 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-propylsulfonylazetidine is sourced from PubChem (CID 90593675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).