morpholin-4-yl-[5-[[5-(trifluoromethyl)-2-pyridinyl]sulfonylmethyl]furan-2-yl]methanone

C16H15F3N2O5S — CID 2821410

IUPACmorpholin-4-yl-[5-[[5-(trifluoromethyl)-2-pyridinyl]sulfonylmethyl]furan-2-yl]methanone
SMILESO=C(c1ccc(CS(=O)(=O)c2ccc(C(F)(F)F)cn2)o1)N1CCOCC1
InChIInChI=1S/C16H15F3N2O5S/c17-16(18,19)11-1-4-14(20-9-11)27(23,24)10-12-2-3-13(26-12)15(22)21-5-7-25-8-6-21/h1-4,9H,5-8,10H2
InChIKeyGWYYNQCIQQEDEN-UHFFFAOYSA-N
MW404.37 g/mol
LogP2.14
Rot. Bonds4

About morpholin-4-yl-[5-[[5-(trifluoromethyl)-2-pyridinyl]sulfonylmethyl]furan-2-yl]methanone

morpholin-4-yl-[5-[[5-(trifluoromethyl)-2-pyridinyl]sulfonylmethyl]furan-2-yl]methanone (PubChem CID 2821410) has the molecular formula C16H15F3N2O5S and a molecular weight of 404.37 g/mol. Its IUPAC name is morpholin-4-yl-[5-[[5-(trifluoromethyl)-2-pyridinyl]sulfonylmethyl]furan-2-yl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[5-[[5-(trifluoromethyl)-2-pyridinyl]sulfonylmethyl]furan-2-yl]methanone
PubChem CID2821410
Molecular FormulaC16H15F3N2O5S
Molecular Weight404.37 g/mol
Exact Mass404.07
IUPAC Namemorpholin-4-yl-[5-[[5-(trifluoromethyl)-2-pyridinyl]sulfonylmethyl]furan-2-yl]methanone
SMILESO=C(c1ccc(CS(=O)(=O)c2ccc(C(F)(F)F)cn2)o1)N1CCOCC1
InChIInChI=1S/C16H15F3N2O5S/c17-16(18,19)11-1-4-14(20-9-11)27(23,24)10-12-2-3-13(26-12)15(22)21-5-7-25-8-6-21/h1-4,9H,5-8,10H2
InChIKeyGWYYNQCIQQEDEN-UHFFFAOYSA-N
XLogP2.14
TPSA89.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.37
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[5-[[5-(trifluoromethyl)-2-pyridinyl]sulfonylmethyl]furan-2-yl]methanone?
The IUPAC name of morpholin-4-yl-[5-[[5-(trifluoromethyl)-2-pyridinyl]sulfonylmethyl]furan-2-yl]methanone (CID 2821410) is morpholin-4-yl-[5-[[5-(trifluoromethyl)-2-pyridinyl]sulfonylmethyl]furan-2-yl]methanone.
What is the SMILES notation for morpholin-4-yl-[5-[[5-(trifluoromethyl)-2-pyridinyl]sulfonylmethyl]furan-2-yl]methanone?
The canonical SMILES for morpholin-4-yl-[5-[[5-(trifluoromethyl)-2-pyridinyl]sulfonylmethyl]furan-2-yl]methanone is O=C(c1ccc(CS(=O)(=O)c2ccc(C(F)(F)F)cn2)o1)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-[5-[[5-(trifluoromethyl)-2-pyridinyl]sulfonylmethyl]furan-2-yl]methanone?
The InChIKey is GWYYNQCIQQEDEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O5S/c17-16(18,19)11-1-4-14(20-9-11)27(23,24)10-12-2-3-13(26-12)15(22)21-5-7-25-8-6-21/h1-4,9H,5-8,10H2.
What are the key properties of morpholin-4-yl-[5-[[5-(trifluoromethyl)-2-pyridinyl]sulfonylmethyl]furan-2-yl]methanone?
morpholin-4-yl-[5-[[5-(trifluoromethyl)-2-pyridinyl]sulfonylmethyl]furan-2-yl]methanone has a molecular weight of 404.37 g/mol, XLogP of 2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[5-[[5-(trifluoromethyl)-2-pyridinyl]sulfonylmethyl]furan-2-yl]methanone is sourced from PubChem (CID 2821410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).