4-(3,5-difluorophenyl)sulfonyl-1-oxa-4,9-diazaspiro[5.5]undecane

C14H18F2N2O3S — CID 169160863

IUPAC4-(3,5-difluorophenyl)sulfonyl-1-oxa-4,9-diazaspiro[5.5]undecane
SMILESO=S(=O)(c1cc(F)cc(F)c1)N1CCOC2(CCNCC2)C1
InChIInChI=1S/C14H18F2N2O3S/c15-11-7-12(16)9-13(8-11)22(19,20)18-5-6-21-14(10-18)1-3-17-4-2-14/h7-9,17H,1-6,10H2
InChIKeyIQALMRRVPAEZDN-UHFFFAOYSA-N
MW332.37 g/mol
LogP1.11
Rot. Bonds2

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

4-(3,5-difluorophenyl)sulfonyl-1-oxa-4,9-diazaspiro[5.5]undecane (PubChem CID 169160863) has the molecular formula C14H18F2N2O3S and a molecular weight of 332.37 g/mol. Its IUPAC name is 4-(3,5-difluorophenyl)sulfonyl-1-oxa-4,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name4-(3,5-difluorophenyl)sulfonyl-1-oxa-4,9-diazaspiro[5.5]undecane
PubChem CID169160863
Molecular FormulaC14H18F2N2O3S
Molecular Weight332.37 g/mol
Exact Mass332.10
IUPAC Name4-(3,5-difluorophenyl)sulfonyl-1-oxa-4,9-diazaspiro[5.5]undecane
SMILESO=S(=O)(c1cc(F)cc(F)c1)N1CCOC2(CCNCC2)C1
InChIInChI=1S/C14H18F2N2O3S/c15-11-7-12(16)9-13(8-11)22(19,20)18-5-6-21-14(10-18)1-3-17-4-2-14/h7-9,17H,1-6,10H2
InChIKeyIQALMRRVPAEZDN-UHFFFAOYSA-N
XLogP1.11
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-difluoro-N-((1-(2-methoxyethyl)piperidin-4-yl)methyl)benzenesulfonamide
CID 16887602
2-fluoro-N-((1-(2-methoxyethyl)piperidin-4-yl)methyl)benzenesulfonamide
CID 16887604
4-[1-(2,4-Difluorophenyl)sulfonylpiperidin-4-yl]morpholine
CID 46390375
4-[1-(2,5-Difluorophenyl)sulfonylpiperidin-4-yl]morpholine
CID 46390374
3-(4-Fluorobenzenesulfonyl)-9-oxa-3,7-diazabicyclo[3.3.1]nonane
CID 90487985
3-(3-Fluorobenzenesulfonyl)-9-oxa-3,7-diazabicyclo[3.3.1]nonane
CID 90487986
(1R,5S)-3-(4-fluorophenyl)sulfonyl-9-oxa-3,7-diazabicyclo[3.3.1]nonane
CID 97933366
8-(2-Fluorophenyl)sulfonyl-4-methyl-1-oxa-4,8-diazaspiro[5.5]undecane
CID 134077368
3,4-difluoro-N-(2-morpholin-4-ylethyl)-N-[(3S)-piperidin-3-yl]benzenesulfonamide
CID 164635900
3,5-difluoro-N-(3-morpholin-4-ylpropyl)-N-[(3S)-piperidin-3-yl]benzenesulfonamide
CID 164643034
3-(4-Fluorobenzenesulfonyl)-2,8-dimethyl-1-oxa-3,8-diazaspiro[4.5]-decane
CID 46846810
4-(4-Fluorobenzenesulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane
CID 58245080

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-difluorophenyl)sulfonyl-1-oxa-4,9-diazaspiro[5.5]undecane?
The IUPAC name of 4-(3,5-difluorophenyl)sulfonyl-1-oxa-4,9-diazaspiro[5.5]undecane (CID 169160863) is 4-(3,5-difluorophenyl)sulfonyl-1-oxa-4,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 4-(3,5-difluorophenyl)sulfonyl-1-oxa-4,9-diazaspiro[5.5]undecane?
The canonical SMILES for 4-(3,5-difluorophenyl)sulfonyl-1-oxa-4,9-diazaspiro[5.5]undecane is O=S(=O)(c1cc(F)cc(F)c1)N1CCOC2(CCNCC2)C1.
What is the InChIKey of 4-(3,5-difluorophenyl)sulfonyl-1-oxa-4,9-diazaspiro[5.5]undecane?
The InChIKey is IQALMRRVPAEZDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O3S/c15-11-7-12(16)9-13(8-11)22(19,20)18-5-6-21-14(10-18)1-3-17-4-2-14/h7-9,17H,1-6,10H2.
What are the key properties of 4-(3,5-difluorophenyl)sulfonyl-1-oxa-4,9-diazaspiro[5.5]undecane?
4-(3,5-difluorophenyl)sulfonyl-1-oxa-4,9-diazaspiro[5.5]undecane has a molecular weight of 332.37 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-difluorophenyl)sulfonyl-1-oxa-4,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 169160863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).