3-(furan-2-ylmethylsulfonyl)-1-(3-phenylphenyl)sulfonylazetidine

C20H19NO5S2 — CID 90594817

IUPAC3-(furan-2-ylmethylsulfonyl)-1-(3-phenylphenyl)sulfonylazetidine
SMILESO=S(=O)(Cc1ccco1)C1CN(S(=O)(=O)c2cccc(-c3ccccc3)c2)C1
InChIInChI=1S/C20H19NO5S2/c22-27(23,15-18-9-5-11-26-18)20-13-21(14-20)28(24,25)19-10-4-8-17(12-19)16-6-2-1-3-7-16/h1-12,20H,13-15H2
InChIKeyOYOYNRFQXSXGPS-UHFFFAOYSA-N
MW417.51 g/mol
LogP2.93
Rot. Bonds6

About 3-(furan-2-ylmethylsulfonyl)-1-(3-phenylphenyl)sulfonylazetidine

3-(furan-2-ylmethylsulfonyl)-1-(3-phenylphenyl)sulfonylazetidine (PubChem CID 90594817) has the molecular formula C20H19NO5S2 and a molecular weight of 417.51 g/mol. Its IUPAC name is 3-(furan-2-ylmethylsulfonyl)-1-(3-phenylphenyl)sulfonylazetidine.

Molecular Properties

Compound Name3-(furan-2-ylmethylsulfonyl)-1-(3-phenylphenyl)sulfonylazetidine
PubChem CID90594817
Molecular FormulaC20H19NO5S2
Molecular Weight417.51 g/mol
Exact Mass417.07
IUPAC Name3-(furan-2-ylmethylsulfonyl)-1-(3-phenylphenyl)sulfonylazetidine
SMILESO=S(=O)(Cc1ccco1)C1CN(S(=O)(=O)c2cccc(-c3ccccc3)c2)C1
InChIInChI=1S/C20H19NO5S2/c22-27(23,15-18-9-5-11-26-18)20-13-21(14-20)28(24,25)19-10-4-8-17(12-19)16-6-2-1-3-7-16/h1-12,20H,13-15H2
InChIKeyOYOYNRFQXSXGPS-UHFFFAOYSA-N
XLogP2.93
TPSA84.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(furan-2-ylmethylsulfonyl)-1-[4-(2-methoxyphenoxy)phenyl]sulfonylazetidine
CID 90594797
(3R)-1-(3-fluoro-4-methoxyphenyl)sulfonyl-3-(furan-2-ylmethylsulfonyl)pyrrolidine
CID 99873558
1-[(4-chlorophenyl)methylsulfonyl]-3-(furan-2-ylmethylsulfonyl)azetidine
CID 90594792
3-(furan-2-ylmethylsulfonyl)-N-phenylazetidine-1-carboxamide
CID 90594679
4-(furan-2-ylmethylsulfonyl)-1-[4-(4-methoxyphenyl)phenyl]sulfonylpiperidine
CID 90590757
1-(4-tert-butylphenyl)sulfonyl-4-(furan-2-ylmethylsulfonyl)piperidine
CID 90590714
1-[3-(furan-2-ylmethylsulfonyl)azetidin-1-yl]-3,3-diphenylpropan-1-one
CID 71809429
1-[3-(4-chlorophenyl)phenyl]sulfonyl-3-(4-chlorophenyl)sulfonylazetidine
CID 90595250
1-[3-(furan-2-ylmethylsulfonyl)azetidin-1-yl]-5-phenylpentane-1,5-dione
CID 71809402
4-(furan-2-ylmethylsulfonyl)-1-(3-methyl-4-propoxyphenyl)sulfonylpiperidine
CID 90590728
3-[1-(3-phenylphenyl)sulfonylazetidin-3-yl]imidazolidine-2,4-dione
CID 121159666
N-tert-butyl-3-(furan-2-ylmethylsulfonyl)azetidine-1-carboxamide
CID 90594685

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-ylmethylsulfonyl)-1-(3-phenylphenyl)sulfonylazetidine?
The IUPAC name of 3-(furan-2-ylmethylsulfonyl)-1-(3-phenylphenyl)sulfonylazetidine (CID 90594817) is 3-(furan-2-ylmethylsulfonyl)-1-(3-phenylphenyl)sulfonylazetidine.
What is the SMILES notation for 3-(furan-2-ylmethylsulfonyl)-1-(3-phenylphenyl)sulfonylazetidine?
The canonical SMILES for 3-(furan-2-ylmethylsulfonyl)-1-(3-phenylphenyl)sulfonylazetidine is O=S(=O)(Cc1ccco1)C1CN(S(=O)(=O)c2cccc(-c3ccccc3)c2)C1.
What is the InChIKey of 3-(furan-2-ylmethylsulfonyl)-1-(3-phenylphenyl)sulfonylazetidine?
The InChIKey is OYOYNRFQXSXGPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO5S2/c22-27(23,15-18-9-5-11-26-18)20-13-21(14-20)28(24,25)19-10-4-8-17(12-19)16-6-2-1-3-7-16/h1-12,20H,13-15H2.
What are the key properties of 3-(furan-2-ylmethylsulfonyl)-1-(3-phenylphenyl)sulfonylazetidine?
3-(furan-2-ylmethylsulfonyl)-1-(3-phenylphenyl)sulfonylazetidine has a molecular weight of 417.51 g/mol, XLogP of 2.93, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-ylmethylsulfonyl)-1-(3-phenylphenyl)sulfonylazetidine is sourced from PubChem (CID 90594817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).