4-[4-[4-(trifluoromethyl)pyrimidin-2-yl]oxyphenyl]sulfonylmorpholine

C15H14F3N3O4S — CID 31535440

IUPAC4-[4-[4-(trifluoromethyl)pyrimidin-2-yl]oxyphenyl]sulfonylmorpholine
SMILESO=S(=O)(c1ccc(Oc2nccc(C(F)(F)F)n2)cc1)N1CCOCC1
InChIInChI=1S/C15H14F3N3O4S/c16-15(17,18)13-5-6-19-14(20-13)25-11-1-3-12(4-2-11)26(22,23)21-7-9-24-10-8-21/h1-6H,7-10H2
InChIKeyBCSCVBIWAMUBFF-UHFFFAOYSA-N
MW389.36 g/mol
LogP2.31
Rot. Bonds4

About 4-[4-[4-(trifluoromethyl)pyrimidin-2-yl]oxyphenyl]sulfonylmorpholine

4-[4-[4-(trifluoromethyl)pyrimidin-2-yl]oxyphenyl]sulfonylmorpholine (PubChem CID 31535440) has the molecular formula C15H14F3N3O4S and a molecular weight of 389.36 g/mol. Its IUPAC name is 4-[4-[4-(trifluoromethyl)pyrimidin-2-yl]oxyphenyl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[4-[4-(trifluoromethyl)pyrimidin-2-yl]oxyphenyl]sulfonylmorpholine
PubChem CID31535440
Molecular FormulaC15H14F3N3O4S
Molecular Weight389.36 g/mol
Exact Mass389.07
IUPAC Name4-[4-[4-(trifluoromethyl)pyrimidin-2-yl]oxyphenyl]sulfonylmorpholine
SMILESO=S(=O)(c1ccc(Oc2nccc(C(F)(F)F)n2)cc1)N1CCOCC1
InChIInChI=1S/C15H14F3N3O4S/c16-15(17,18)13-5-6-19-14(20-13)25-11-1-3-12(4-2-11)26(22,23)21-7-9-24-10-8-21/h1-6H,7-10H2
InChIKeyBCSCVBIWAMUBFF-UHFFFAOYSA-N
XLogP2.31
TPSA81.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.36
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(trifluoromethyl)pyrimidin-2-yl]oxyphenyl]sulfonylmorpholine?
The IUPAC name of 4-[4-[4-(trifluoromethyl)pyrimidin-2-yl]oxyphenyl]sulfonylmorpholine (CID 31535440) is 4-[4-[4-(trifluoromethyl)pyrimidin-2-yl]oxyphenyl]sulfonylmorpholine.
What is the SMILES notation for 4-[4-[4-(trifluoromethyl)pyrimidin-2-yl]oxyphenyl]sulfonylmorpholine?
The canonical SMILES for 4-[4-[4-(trifluoromethyl)pyrimidin-2-yl]oxyphenyl]sulfonylmorpholine is O=S(=O)(c1ccc(Oc2nccc(C(F)(F)F)n2)cc1)N1CCOCC1.
What is the InChIKey of 4-[4-[4-(trifluoromethyl)pyrimidin-2-yl]oxyphenyl]sulfonylmorpholine?
The InChIKey is BCSCVBIWAMUBFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N3O4S/c16-15(17,18)13-5-6-19-14(20-13)25-11-1-3-12(4-2-11)26(22,23)21-7-9-24-10-8-21/h1-6H,7-10H2.
What are the key properties of 4-[4-[4-(trifluoromethyl)pyrimidin-2-yl]oxyphenyl]sulfonylmorpholine?
4-[4-[4-(trifluoromethyl)pyrimidin-2-yl]oxyphenyl]sulfonylmorpholine has a molecular weight of 389.36 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(trifluoromethyl)pyrimidin-2-yl]oxyphenyl]sulfonylmorpholine is sourced from PubChem (CID 31535440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).