4-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonyl-2-(1-methylpyrazol-4-yl)morpholine

C15H15F4N3O3S — CID 75494740

IUPAC4-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonyl-2-(1-methylpyrazol-4-yl)morpholine
SMILESCn1cc(C2CN(S(=O)(=O)c3ccc(F)cc3C(F)(F)F)CCO2)cn1
InChIInChI=1S/C15H15F4N3O3S/c1-21-8-10(7-20-21)13-9-22(4-5-25-13)26(23,24)14-3-2-11(16)6-12(14)15(17,18)19/h2-3,6-8,13H,4-5,9H2,1H3
InChIKeyZQNUCOWXKMSVMS-UHFFFAOYSA-N
MW393.36 g/mol
LogP2.34
Rot. Bonds3

About 4-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonyl-2-(1-methylpyrazol-4-yl)morpholine

4-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonyl-2-(1-methylpyrazol-4-yl)morpholine (PubChem CID 75494740) has the molecular formula C15H15F4N3O3S and a molecular weight of 393.36 g/mol. Its IUPAC name is 4-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonyl-2-(1-methylpyrazol-4-yl)morpholine.

Molecular Properties

Compound Name4-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonyl-2-(1-methylpyrazol-4-yl)morpholine
PubChem CID75494740
Molecular FormulaC15H15F4N3O3S
Molecular Weight393.36 g/mol
Exact Mass393.08
IUPAC Name4-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonyl-2-(1-methylpyrazol-4-yl)morpholine
SMILESCn1cc(C2CN(S(=O)(=O)c3ccc(F)cc3C(F)(F)F)CCO2)cn1
InChIInChI=1S/C15H15F4N3O3S/c1-21-8-10(7-20-21)13-9-22(4-5-25-13)26(23,24)14-3-2-11(16)6-12(14)15(17,18)19/h2-3,6-8,13H,4-5,9H2,1H3
InChIKeyZQNUCOWXKMSVMS-UHFFFAOYSA-N
XLogP2.34
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.36
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonyl-2-(1-methylpyrazol-4-yl)morpholine?
The IUPAC name of 4-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonyl-2-(1-methylpyrazol-4-yl)morpholine (CID 75494740) is 4-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonyl-2-(1-methylpyrazol-4-yl)morpholine.
What is the SMILES notation for 4-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonyl-2-(1-methylpyrazol-4-yl)morpholine?
The canonical SMILES for 4-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonyl-2-(1-methylpyrazol-4-yl)morpholine is Cn1cc(C2CN(S(=O)(=O)c3ccc(F)cc3C(F)(F)F)CCO2)cn1.
What is the InChIKey of 4-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonyl-2-(1-methylpyrazol-4-yl)morpholine?
The InChIKey is ZQNUCOWXKMSVMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F4N3O3S/c1-21-8-10(7-20-21)13-9-22(4-5-25-13)26(23,24)14-3-2-11(16)6-12(14)15(17,18)19/h2-3,6-8,13H,4-5,9H2,1H3.
What are the key properties of 4-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonyl-2-(1-methylpyrazol-4-yl)morpholine?
4-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonyl-2-(1-methylpyrazol-4-yl)morpholine has a molecular weight of 393.36 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonyl-2-(1-methylpyrazol-4-yl)morpholine is sourced from PubChem (CID 75494740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).