8-(2,6-difluorophenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane

C13H15F2NO4S — CID 6733332

IUPAC8-(2,6-difluorophenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
SMILESO=S(=O)(c1c(F)cccc1F)N1CCC2(CC1)OCCO2
InChIInChI=1S/C13H15F2NO4S/c14-10-2-1-3-11(15)12(10)21(17,18)16-6-4-13(5-7-16)19-8-9-20-13/h1-3H,4-9H2
InChIKeyPSIJGXKDBVGPHI-UHFFFAOYSA-N
MW319.33 g/mol
LogP1.49
Rot. Bonds2

About 8-(2,6-difluorophenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane

8-(2,6-difluorophenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 6733332) has the molecular formula C13H15F2NO4S and a molecular weight of 319.33 g/mol. Its IUPAC name is 8-(2,6-difluorophenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-(2,6-difluorophenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
PubChem CID6733332
Molecular FormulaC13H15F2NO4S
Molecular Weight319.33 g/mol
Exact Mass319.07
IUPAC Name8-(2,6-difluorophenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
SMILESO=S(=O)(c1c(F)cccc1F)N1CCC2(CC1)OCCO2
InChIInChI=1S/C13H15F2NO4S/c14-10-2-1-3-11(15)12(10)21(17,18)16-6-4-13(5-7-16)19-8-9-20-13/h1-3H,4-9H2
InChIKeyPSIJGXKDBVGPHI-UHFFFAOYSA-N
XLogP1.49
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.33
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(2,6-difluorophenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-(2,6-difluorophenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane (CID 6733332) is 8-(2,6-difluorophenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-(2,6-difluorophenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-(2,6-difluorophenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane is O=S(=O)(c1c(F)cccc1F)N1CCC2(CC1)OCCO2.
What is the InChIKey of 8-(2,6-difluorophenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane?
The InChIKey is PSIJGXKDBVGPHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2NO4S/c14-10-2-1-3-11(15)12(10)21(17,18)16-6-4-13(5-7-16)19-8-9-20-13/h1-3H,4-9H2.
What are the key properties of 8-(2,6-difluorophenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane?
8-(2,6-difluorophenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane has a molecular weight of 319.33 g/mol, XLogP of 1.49, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,6-difluorophenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 6733332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).