2-(2,6-difluorophenyl)sulfonyl-7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonane

C14H17F2NO4S — CID 71789660

IUPAC2-(2,6-difluorophenyl)sulfonyl-7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonane
SMILESCC1(C)OCC2(CO1)CN(S(=O)(=O)c1c(F)cccc1F)C2
InChIInChI=1S/C14H17F2NO4S/c1-13(2)20-8-14(9-21-13)6-17(7-14)22(18,19)12-10(15)4-3-5-11(12)16/h3-5H,6-9H2,1-2H3
InChIKeyZAZFLJDJASSQEX-UHFFFAOYSA-N
MW333.36 g/mol
LogP1.74
Rot. Bonds2

About 2-(2,6-difluorophenyl)sulfonyl-7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonane

2-(2,6-difluorophenyl)sulfonyl-7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonane (PubChem CID 71789660) has the molecular formula C14H17F2NO4S and a molecular weight of 333.36 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)sulfonyl-7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonane.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)sulfonyl-7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonane
PubChem CID71789660
Molecular FormulaC14H17F2NO4S
Molecular Weight333.36 g/mol
Exact Mass333.08
IUPAC Name2-(2,6-difluorophenyl)sulfonyl-7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonane
SMILESCC1(C)OCC2(CO1)CN(S(=O)(=O)c1c(F)cccc1F)C2
InChIInChI=1S/C14H17F2NO4S/c1-13(2)20-8-14(9-21-13)6-17(7-14)22(18,19)12-10(15)4-3-5-11(12)16/h3-5H,6-9H2,1-2H3
InChIKeyZAZFLJDJASSQEX-UHFFFAOYSA-N
XLogP1.74
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)sulfonyl-7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonane?
The IUPAC name of 2-(2,6-difluorophenyl)sulfonyl-7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonane (CID 71789660) is 2-(2,6-difluorophenyl)sulfonyl-7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonane.
What is the SMILES notation for 2-(2,6-difluorophenyl)sulfonyl-7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonane?
The canonical SMILES for 2-(2,6-difluorophenyl)sulfonyl-7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonane is CC1(C)OCC2(CO1)CN(S(=O)(=O)c1c(F)cccc1F)C2.
What is the InChIKey of 2-(2,6-difluorophenyl)sulfonyl-7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonane?
The InChIKey is ZAZFLJDJASSQEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2NO4S/c1-13(2)20-8-14(9-21-13)6-17(7-14)22(18,19)12-10(15)4-3-5-11(12)16/h3-5H,6-9H2,1-2H3.
What are the key properties of 2-(2,6-difluorophenyl)sulfonyl-7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonane?
2-(2,6-difluorophenyl)sulfonyl-7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonane has a molecular weight of 333.36 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)sulfonyl-7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonane is sourced from PubChem (CID 71789660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).