(1R)-2,2-difluoro-1-[2-[4-fluoro-2-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]-6-azaspiro[2.5]octane-6-sulfonamide

C17H15F6N3O3S — CID 155681807

IUPAC(1R)-2,2-difluoro-1-[2-[4-fluoro-2-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]-6-azaspiro[2.5]octane-6-sulfonamide
SMILESNS(=O)(=O)N1CCC2(CC1)[C@H](c1coc(-c3ccc(F)cc3C(F)(F)F)n1)C2(F)F
InChIInChI=1S/C17H15F6N3O3S/c18-9-1-2-10(11(7-9)17(21,22)23)14-25-12(8-29-14)13-15(16(13,19)20)3-5-26(6-4-15)30(24,27)28/h1-2,7-8,13H,3-6H2,(H2,24,27,28)/t13-/m0/s1
InChIKeyGNZNDDROJNQJRI-ZDUSSCGKSA-N
MW455.38 g/mol
LogP3.52
Rot. Bonds3

About (1R)-2,2-difluoro-1-[2-[4-fluoro-2-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]-6-azaspiro[2.5]octane-6-sulfonamide

(1R)-2,2-difluoro-1-[2-[4-fluoro-2-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]-6-azaspiro[2.5]octane-6-sulfonamide (PubChem CID 155681807) has the molecular formula C17H15F6N3O3S and a molecular weight of 455.38 g/mol. Its IUPAC name is (1R)-2,2-difluoro-1-[2-[4-fluoro-2-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]-6-azaspiro[2.5]octane-6-sulfonamide.

Molecular Properties

Compound Name(1R)-2,2-difluoro-1-[2-[4-fluoro-2-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]-6-azaspiro[2.5]octane-6-sulfonamide
PubChem CID155681807
Molecular FormulaC17H15F6N3O3S
Molecular Weight455.38 g/mol
Exact Mass455.07
IUPAC Name(1R)-2,2-difluoro-1-[2-[4-fluoro-2-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]-6-azaspiro[2.5]octane-6-sulfonamide
SMILESNS(=O)(=O)N1CCC2(CC1)[C@H](c1coc(-c3ccc(F)cc3C(F)(F)F)n1)C2(F)F
InChIInChI=1S/C17H15F6N3O3S/c18-9-1-2-10(11(7-9)17(21,22)23)14-25-12(8-29-14)13-15(16(13,19)20)3-5-26(6-4-15)30(24,27)28/h1-2,7-8,13H,3-6H2,(H2,24,27,28)/t13-/m0/s1
InChIKeyGNZNDDROJNQJRI-ZDUSSCGKSA-N
XLogP3.52
TPSA89.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.38
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1R)-2,2-difluoro-1-[2-[4-fluoro-2-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]-6-azaspiro[2.5]octane-6-sulfonamide with MolForge

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Launch Full Analysis

Related Compounds

N'-[[(1R)-2,2-difluoro-1-[2-[4-fluoro-2-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]-6-azaspiro[2.5]octan-6-yl]sulfonyl]-N,N-dimethylmethanimidamide
CID 155681999
5-(2,2-difluoro-6-methylsulfonyl-6-azaspiro[2.5]octan-1-yl)-3-[4-fluoro-2-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 155681877
5,5-difluoro-6-[5-[4-fluoro-2-(trifluoromethyl)phenyl]-1,2,4-thiadiazol-3-yl]azonane-1-sulfonamide
CID 163420921
(1S)-2,2-difluoro-1-(4-phenyl-2-pyridinyl)-6-azaspiro[2.5]octane-6-sulfonamide
CID 156736160
(2R)-2-[5-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-6-azaspiro[2.5]octane-6-sulfonamide
CID 155682094
(1R)-1-[5-[1-cyclopropyl-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-2,2-difluoro-6-azaspiro[2.5]octane-6-sulfonamide
CID 155682055
(1R)-1-[3-(2-cyclopropylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]-2,2-difluoro-6-azaspiro[2.5]octane-6-sulfonamide
CID 155681952
(1R)-1-[5-[2-(difluoromethoxy)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]-2,2-difluoro-6-azaspiro[2.5]octane-6-sulfonamide
CID 155682021
(1R)-1-[3-[2-(difluoromethoxy)-4-pyridinyl]-1,2-oxazol-5-yl]-2,2-difluoro-6-azaspiro[2.5]octane-6-sulfonamide
CID 155682050
1-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-amine
CID 119959137
[4-cyclopropyl-2-[4-fluoro-2-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanamine
CID 114361920
(3R)-1-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-amine
CID 119962610

Frequently Asked Questions

What is the IUPAC name of (1R)-2,2-difluoro-1-[2-[4-fluoro-2-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]-6-azaspiro[2.5]octane-6-sulfonamide?
The IUPAC name of (1R)-2,2-difluoro-1-[2-[4-fluoro-2-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]-6-azaspiro[2.5]octane-6-sulfonamide (CID 155681807) is (1R)-2,2-difluoro-1-[2-[4-fluoro-2-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]-6-azaspiro[2.5]octane-6-sulfonamide.
What is the SMILES notation for (1R)-2,2-difluoro-1-[2-[4-fluoro-2-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]-6-azaspiro[2.5]octane-6-sulfonamide?
The canonical SMILES for (1R)-2,2-difluoro-1-[2-[4-fluoro-2-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]-6-azaspiro[2.5]octane-6-sulfonamide is NS(=O)(=O)N1CCC2(CC1)[C@H](c1coc(-c3ccc(F)cc3C(F)(F)F)n1)C2(F)F.
What is the InChIKey of (1R)-2,2-difluoro-1-[2-[4-fluoro-2-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]-6-azaspiro[2.5]octane-6-sulfonamide?
The InChIKey is GNZNDDROJNQJRI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H15F6N3O3S/c18-9-1-2-10(11(7-9)17(21,22)23)14-25-12(8-29-14)13-15(16(13,19)20)3-5-26(6-4-15)30(24,27)28/h1-2,7-8,13H,3-6H2,(H2,24,27,28)/t13-/m0/s1.
What are the key properties of (1R)-2,2-difluoro-1-[2-[4-fluoro-2-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]-6-azaspiro[2.5]octane-6-sulfonamide?
(1R)-2,2-difluoro-1-[2-[4-fluoro-2-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]-6-azaspiro[2.5]octane-6-sulfonamide has a molecular weight of 455.38 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2,2-difluoro-1-[2-[4-fluoro-2-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]-6-azaspiro[2.5]octane-6-sulfonamide is sourced from PubChem (CID 155681807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).