4-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]morpholine

C10H11F3N2O3S — CID 143164611

IUPAC4-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]morpholine
SMILESO=S(=O)(c1ccc(C(F)(F)F)cn1)N1CCOCC1
InChIInChI=1S/C10H11F3N2O3S/c11-10(12,13)8-1-2-9(14-7-8)19(16,17)15-3-5-18-6-4-15/h1-2,7H,3-6H2
InChIKeyQHTKTJFKNKUJLA-UHFFFAOYSA-N
MW296.27 g/mol
LogP1.12
Rot. Bonds2

About 4-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]morpholine

4-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]morpholine (PubChem CID 143164611) has the molecular formula C10H11F3N2O3S and a molecular weight of 296.27 g/mol. Its IUPAC name is 4-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]morpholine.

Molecular Properties

Compound Name4-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]morpholine
PubChem CID143164611
Molecular FormulaC10H11F3N2O3S
Molecular Weight296.27 g/mol
Exact Mass296.04
IUPAC Name4-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]morpholine
SMILESO=S(=O)(c1ccc(C(F)(F)F)cn1)N1CCOCC1
InChIInChI=1S/C10H11F3N2O3S/c11-10(12,13)8-1-2-9(14-7-8)19(16,17)15-3-5-18-6-4-15/h1-2,7H,3-6H2
InChIKeyQHTKTJFKNKUJLA-UHFFFAOYSA-N
XLogP1.12
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.27
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]morpholine?
The IUPAC name of 4-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]morpholine (CID 143164611) is 4-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]morpholine.
What is the SMILES notation for 4-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]morpholine?
The canonical SMILES for 4-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]morpholine is O=S(=O)(c1ccc(C(F)(F)F)cn1)N1CCOCC1.
What is the InChIKey of 4-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]morpholine?
The InChIKey is QHTKTJFKNKUJLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O3S/c11-10(12,13)8-1-2-9(14-7-8)19(16,17)15-3-5-18-6-4-15/h1-2,7H,3-6H2.
What are the key properties of 4-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]morpholine?
4-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]morpholine has a molecular weight of 296.27 g/mol, XLogP of 1.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]morpholine is sourced from PubChem (CID 143164611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).