9-(3,4-difluorophenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane

C14H17F2NO4S — CID 3545142

IUPAC9-(3,4-difluorophenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane
SMILESO=S(=O)(c1ccc(F)c(F)c1)N1CCC2(CC1)OCCCO2
InChIInChI=1S/C14H17F2NO4S/c15-12-3-2-11(10-13(12)16)22(18,19)17-6-4-14(5-7-17)20-8-1-9-21-14/h2-3,10H,1,4-9H2
InChIKeyQFFMXZYAFPKSAI-UHFFFAOYSA-N
MW333.36 g/mol
LogP1.88
Rot. Bonds2

About 9-(3,4-difluorophenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane

9-(3,4-difluorophenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane (PubChem CID 3545142) has the molecular formula C14H17F2NO4S and a molecular weight of 333.36 g/mol. Its IUPAC name is 9-(3,4-difluorophenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane.

Molecular Properties

Compound Name9-(3,4-difluorophenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane
PubChem CID3545142
Molecular FormulaC14H17F2NO4S
Molecular Weight333.36 g/mol
Exact Mass333.08
IUPAC Name9-(3,4-difluorophenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane
SMILESO=S(=O)(c1ccc(F)c(F)c1)N1CCC2(CC1)OCCCO2
InChIInChI=1S/C14H17F2NO4S/c15-12-3-2-11(10-13(12)16)22(18,19)17-6-4-14(5-7-17)20-8-1-9-21-14/h2-3,10H,1,4-9H2
InChIKeyQFFMXZYAFPKSAI-UHFFFAOYSA-N
XLogP1.88
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 ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9-(3,4-difluorophenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9-(3,4-difluorophenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane?
The IUPAC name of 9-(3,4-difluorophenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane (CID 3545142) is 9-(3,4-difluorophenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane.
What is the SMILES notation for 9-(3,4-difluorophenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane?
The canonical SMILES for 9-(3,4-difluorophenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane is O=S(=O)(c1ccc(F)c(F)c1)N1CCC2(CC1)OCCCO2.
What is the InChIKey of 9-(3,4-difluorophenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane?
The InChIKey is QFFMXZYAFPKSAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2NO4S/c15-12-3-2-11(10-13(12)16)22(18,19)17-6-4-14(5-7-17)20-8-1-9-21-14/h2-3,10H,1,4-9H2.
What are the key properties of 9-(3,4-difluorophenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane?
9-(3,4-difluorophenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane has a molecular weight of 333.36 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3,4-difluorophenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane is sourced from PubChem (CID 3545142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).