4-[[6-(3-chloro-4-fluorophenoxy)-3-pyridinyl]sulfonyl]morpholine

C15H14ClFN2O4S — CID 18199957

IUPAC4-[[6-(3-chloro-4-fluorophenoxy)-3-pyridinyl]sulfonyl]morpholine
SMILESO=S(=O)(c1ccc(Oc2ccc(F)c(Cl)c2)nc1)N1CCOCC1
InChIInChI=1S/C15H14ClFN2O4S/c16-13-9-11(1-3-14(13)17)23-15-4-2-12(10-18-15)24(20,21)19-5-7-22-8-6-19/h1-4,9-10H,5-8H2
InChIKeyIEEKQVYRDVABFN-UHFFFAOYSA-N
MW372.81 g/mol
LogP2.69
Rot. Bonds4

About 4-[[6-(3-chloro-4-fluorophenoxy)-3-pyridinyl]sulfonyl]morpholine

4-[[6-(3-chloro-4-fluorophenoxy)-3-pyridinyl]sulfonyl]morpholine (PubChem CID 18199957) has the molecular formula C15H14ClFN2O4S and a molecular weight of 372.81 g/mol. Its IUPAC name is 4-[[6-(3-chloro-4-fluorophenoxy)-3-pyridinyl]sulfonyl]morpholine.

Molecular Properties

Compound Name4-[[6-(3-chloro-4-fluorophenoxy)-3-pyridinyl]sulfonyl]morpholine
PubChem CID18199957
Molecular FormulaC15H14ClFN2O4S
Molecular Weight372.81 g/mol
Exact Mass372.03
IUPAC Name4-[[6-(3-chloro-4-fluorophenoxy)-3-pyridinyl]sulfonyl]morpholine
SMILESO=S(=O)(c1ccc(Oc2ccc(F)c(Cl)c2)nc1)N1CCOCC1
InChIInChI=1S/C15H14ClFN2O4S/c16-13-9-11(1-3-14(13)17)23-15-4-2-12(10-18-15)24(20,21)19-5-7-22-8-6-19/h1-4,9-10H,5-8H2
InChIKeyIEEKQVYRDVABFN-UHFFFAOYSA-N
XLogP2.69
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.81
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[6-(3-chloro-4-fluorophenoxy)-3-pyridinyl]sulfonyl]morpholine?
The IUPAC name of 4-[[6-(3-chloro-4-fluorophenoxy)-3-pyridinyl]sulfonyl]morpholine (CID 18199957) is 4-[[6-(3-chloro-4-fluorophenoxy)-3-pyridinyl]sulfonyl]morpholine.
What is the SMILES notation for 4-[[6-(3-chloro-4-fluorophenoxy)-3-pyridinyl]sulfonyl]morpholine?
The canonical SMILES for 4-[[6-(3-chloro-4-fluorophenoxy)-3-pyridinyl]sulfonyl]morpholine is O=S(=O)(c1ccc(Oc2ccc(F)c(Cl)c2)nc1)N1CCOCC1.
What is the InChIKey of 4-[[6-(3-chloro-4-fluorophenoxy)-3-pyridinyl]sulfonyl]morpholine?
The InChIKey is IEEKQVYRDVABFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O4S/c16-13-9-11(1-3-14(13)17)23-15-4-2-12(10-18-15)24(20,21)19-5-7-22-8-6-19/h1-4,9-10H,5-8H2.
What are the key properties of 4-[[6-(3-chloro-4-fluorophenoxy)-3-pyridinyl]sulfonyl]morpholine?
4-[[6-(3-chloro-4-fluorophenoxy)-3-pyridinyl]sulfonyl]morpholine has a molecular weight of 372.81 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(3-chloro-4-fluorophenoxy)-3-pyridinyl]sulfonyl]morpholine is sourced from PubChem (CID 18199957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).