5'-(3,3-difluoroazetidin-1-yl)sulfonylspiro[1,3-dioxane-2,3'-1H-indole]-2'-one

C14H14F2N2O5S — CID 68654065

IUPAC5'-(3,3-difluoroazetidin-1-yl)sulfonylspiro[1,3-dioxane-2,3'-1H-indole]-2'-one
SMILESO=C1Nc2ccc(S(=O)(=O)N3CC(F)(F)C3)cc2C12OCCCO2
InChIInChI=1S/C14H14F2N2O5S/c15-13(16)7-18(8-13)24(20,21)9-2-3-11-10(6-9)14(12(19)17-11)22-4-1-5-23-14/h2-3,6H,1,4-5,7-8H2,(H,17,19)
InChIKeyDWUZJVAEIMCDEN-UHFFFAOYSA-N
MW360.34 g/mol
LogP0.87
Rot. Bonds2

About 5'-(3,3-difluoroazetidin-1-yl)sulfonylspiro[1,3-dioxane-2,3'-1H-indole]-2'-one

5'-(3,3-difluoroazetidin-1-yl)sulfonylspiro[1,3-dioxane-2,3'-1H-indole]-2'-one (PubChem CID 68654065) has the molecular formula C14H14F2N2O5S and a molecular weight of 360.34 g/mol. Its IUPAC name is 5'-(3,3-difluoroazetidin-1-yl)sulfonylspiro[1,3-dioxane-2,3'-1H-indole]-2'-one.

Molecular Properties

Compound Name5'-(3,3-difluoroazetidin-1-yl)sulfonylspiro[1,3-dioxane-2,3'-1H-indole]-2'-one
PubChem CID68654065
Molecular FormulaC14H14F2N2O5S
Molecular Weight360.34 g/mol
Exact Mass360.06
IUPAC Name5'-(3,3-difluoroazetidin-1-yl)sulfonylspiro[1,3-dioxane-2,3'-1H-indole]-2'-one
SMILESO=C1Nc2ccc(S(=O)(=O)N3CC(F)(F)C3)cc2C12OCCCO2
InChIInChI=1S/C14H14F2N2O5S/c15-13(16)7-18(8-13)24(20,21)9-2-3-11-10(6-9)14(12(19)17-11)22-4-1-5-23-14/h2-3,6H,1,4-5,7-8H2,(H,17,19)
InChIKeyDWUZJVAEIMCDEN-UHFFFAOYSA-N
XLogP0.87
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.34
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5'-(3,3-difluoroazetidin-1-yl)sulfonylspiro[1,3-dioxane-2,3'-1H-indole]-2'-one?
The IUPAC name of 5'-(3,3-difluoroazetidin-1-yl)sulfonylspiro[1,3-dioxane-2,3'-1H-indole]-2'-one (CID 68654065) is 5'-(3,3-difluoroazetidin-1-yl)sulfonylspiro[1,3-dioxane-2,3'-1H-indole]-2'-one.
What is the SMILES notation for 5'-(3,3-difluoroazetidin-1-yl)sulfonylspiro[1,3-dioxane-2,3'-1H-indole]-2'-one?
The canonical SMILES for 5'-(3,3-difluoroazetidin-1-yl)sulfonylspiro[1,3-dioxane-2,3'-1H-indole]-2'-one is O=C1Nc2ccc(S(=O)(=O)N3CC(F)(F)C3)cc2C12OCCCO2.
What is the InChIKey of 5'-(3,3-difluoroazetidin-1-yl)sulfonylspiro[1,3-dioxane-2,3'-1H-indole]-2'-one?
The InChIKey is DWUZJVAEIMCDEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2O5S/c15-13(16)7-18(8-13)24(20,21)9-2-3-11-10(6-9)14(12(19)17-11)22-4-1-5-23-14/h2-3,6H,1,4-5,7-8H2,(H,17,19).
What are the key properties of 5'-(3,3-difluoroazetidin-1-yl)sulfonylspiro[1,3-dioxane-2,3'-1H-indole]-2'-one?
5'-(3,3-difluoroazetidin-1-yl)sulfonylspiro[1,3-dioxane-2,3'-1H-indole]-2'-one has a molecular weight of 360.34 g/mol, XLogP of 0.87, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5'-(3,3-difluoroazetidin-1-yl)sulfonylspiro[1,3-dioxane-2,3'-1H-indole]-2'-one is sourced from PubChem (CID 68654065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).