4-[6-[(2-chloro-4-fluorophenyl)sulfonylmethyl]-2-pyridin-2-ylpyrimidin-4-yl]morpholine

C20H18ClFN4O3S — CID 58137132

IUPAC4-[6-[(2-chloro-4-fluorophenyl)sulfonylmethyl]-2-pyridin-2-ylpyrimidin-4-yl]morpholine
SMILESO=S(=O)(Cc1cc(N2CCOCC2)nc(-c2ccccn2)n1)c1ccc(F)cc1Cl
InChIInChI=1S/C20H18ClFN4O3S/c21-16-11-14(22)4-5-18(16)30(27,28)13-15-12-19(26-7-9-29-10-8-26)25-20(24-15)17-3-1-2-6-23-17/h1-6,11-12H,7-10,13H2
InChIKeyKQFZHTVBJBFNCZ-UHFFFAOYSA-N
MW448.91 g/mol
LogP3.14
Rot. Bonds5

About 4-[6-[(2-chloro-4-fluorophenyl)sulfonylmethyl]-2-pyridin-2-ylpyrimidin-4-yl]morpholine

4-[6-[(2-chloro-4-fluorophenyl)sulfonylmethyl]-2-pyridin-2-ylpyrimidin-4-yl]morpholine (PubChem CID 58137132) has the molecular formula C20H18ClFN4O3S and a molecular weight of 448.91 g/mol. Its IUPAC name is 4-[6-[(2-chloro-4-fluorophenyl)sulfonylmethyl]-2-pyridin-2-ylpyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[6-[(2-chloro-4-fluorophenyl)sulfonylmethyl]-2-pyridin-2-ylpyrimidin-4-yl]morpholine
PubChem CID58137132
Molecular FormulaC20H18ClFN4O3S
Molecular Weight448.91 g/mol
Exact Mass448.08
IUPAC Name4-[6-[(2-chloro-4-fluorophenyl)sulfonylmethyl]-2-pyridin-2-ylpyrimidin-4-yl]morpholine
SMILESO=S(=O)(Cc1cc(N2CCOCC2)nc(-c2ccccn2)n1)c1ccc(F)cc1Cl
InChIInChI=1S/C20H18ClFN4O3S/c21-16-11-14(22)4-5-18(16)30(27,28)13-15-12-19(26-7-9-29-10-8-26)25-20(24-15)17-3-1-2-6-23-17/h1-6,11-12H,7-10,13H2
InChIKeyKQFZHTVBJBFNCZ-UHFFFAOYSA-N
XLogP3.14
TPSA85.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.91
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[(2-chloro-4-fluorophenyl)sulfonylmethyl]-2-pyridin-2-ylpyrimidin-4-yl]morpholine?
The IUPAC name of 4-[6-[(2-chloro-4-fluorophenyl)sulfonylmethyl]-2-pyridin-2-ylpyrimidin-4-yl]morpholine (CID 58137132) is 4-[6-[(2-chloro-4-fluorophenyl)sulfonylmethyl]-2-pyridin-2-ylpyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[6-[(2-chloro-4-fluorophenyl)sulfonylmethyl]-2-pyridin-2-ylpyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[6-[(2-chloro-4-fluorophenyl)sulfonylmethyl]-2-pyridin-2-ylpyrimidin-4-yl]morpholine is O=S(=O)(Cc1cc(N2CCOCC2)nc(-c2ccccn2)n1)c1ccc(F)cc1Cl.
What is the InChIKey of 4-[6-[(2-chloro-4-fluorophenyl)sulfonylmethyl]-2-pyridin-2-ylpyrimidin-4-yl]morpholine?
The InChIKey is KQFZHTVBJBFNCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClFN4O3S/c21-16-11-14(22)4-5-18(16)30(27,28)13-15-12-19(26-7-9-29-10-8-26)25-20(24-15)17-3-1-2-6-23-17/h1-6,11-12H,7-10,13H2.
What are the key properties of 4-[6-[(2-chloro-4-fluorophenyl)sulfonylmethyl]-2-pyridin-2-ylpyrimidin-4-yl]morpholine?
4-[6-[(2-chloro-4-fluorophenyl)sulfonylmethyl]-2-pyridin-2-ylpyrimidin-4-yl]morpholine has a molecular weight of 448.91 g/mol, XLogP of 3.14, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[(2-chloro-4-fluorophenyl)sulfonylmethyl]-2-pyridin-2-ylpyrimidin-4-yl]morpholine is sourced from PubChem (CID 58137132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).