7-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-1,4,7-dioxazonane

C12H15F3N2O4S — CID 166283904

IUPAC7-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-1,4,7-dioxazonane
SMILESO=S(=O)(c1ccc(C(F)(F)F)cn1)N1CCOCCOCC1
InChIInChI=1S/C12H15F3N2O4S/c13-12(14,15)10-1-2-11(16-9-10)22(18,19)17-3-5-20-7-8-21-6-4-17/h1-2,9H,3-8H2
InChIKeyDRMRMZFGBLPJMM-UHFFFAOYSA-N
MW340.32 g/mol
LogP1.14
Rot. Bonds2

About 7-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-1,4,7-dioxazonane

7-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-1,4,7-dioxazonane (PubChem CID 166283904) has the molecular formula C12H15F3N2O4S and a molecular weight of 340.32 g/mol. Its IUPAC name is 7-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-1,4,7-dioxazonane.

Molecular Properties

Compound Name7-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-1,4,7-dioxazonane
PubChem CID166283904
Molecular FormulaC12H15F3N2O4S
Molecular Weight340.32 g/mol
Exact Mass340.07
IUPAC Name7-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-1,4,7-dioxazonane
SMILESO=S(=O)(c1ccc(C(F)(F)F)cn1)N1CCOCCOCC1
InChIInChI=1S/C12H15F3N2O4S/c13-12(14,15)10-1-2-11(16-9-10)22(18,19)17-3-5-20-7-8-21-6-4-17/h1-2,9H,3-8H2
InChIKeyDRMRMZFGBLPJMM-UHFFFAOYSA-N
XLogP1.14
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.32
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-1,4,7-dioxazonane with MolForge

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Related Compounds

8-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-1-oxa-8-azaspiro[4.5]decane
CID 166281994
3-methyl-8-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene
CID 167897899
1-[1-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]piperidin-4-yl]pyrrolidin-2-one
CID 167979359
7,8-dichloro-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-3,4-dihydro-1H-isoquinoline
CID 166317926
2-[3-(4-fluorophenyl)-3-methylazetidin-1-yl]sulfonyl-5-(trifluoromethyl)pyridine
CID 166317932
5-(trifluoromethyl)pyridine-2-sulfonic acid;hydrochloride
CID 174615079
4-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-1,2-oxazolidin-4-ol
CID 166282118
N-[5-(trifluoromethyl)-2-pyridinyl]morpholin-4-amine
CID 78908037
2-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]sulfonyl-5-(trifluoromethyl)pyridine
CID 167987064
N-[1-(oxan-4-ylsulfonyl)piperidin-4-yl]-5-(trifluoromethyl)pyridin-2-amine
CID 133311693
4-morpholin-4-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide
CID 17391128
4-morpholin-4-ylsulfonyl-2-(trifluoromethyl)aniline
CID 3619797

Frequently Asked Questions

What is the IUPAC name of 7-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-1,4,7-dioxazonane?
The IUPAC name of 7-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-1,4,7-dioxazonane (CID 166283904) is 7-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-1,4,7-dioxazonane.
What is the SMILES notation for 7-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-1,4,7-dioxazonane?
The canonical SMILES for 7-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-1,4,7-dioxazonane is O=S(=O)(c1ccc(C(F)(F)F)cn1)N1CCOCCOCC1.
What is the InChIKey of 7-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-1,4,7-dioxazonane?
The InChIKey is DRMRMZFGBLPJMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O4S/c13-12(14,15)10-1-2-11(16-9-10)22(18,19)17-3-5-20-7-8-21-6-4-17/h1-2,9H,3-8H2.
What are the key properties of 7-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-1,4,7-dioxazonane?
7-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-1,4,7-dioxazonane has a molecular weight of 340.32 g/mol, XLogP of 1.14, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-1,4,7-dioxazonane is sourced from PubChem (CID 166283904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).