4-[[6-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine

C17H19FN2O4S2 — CID 7774884

IUPAC4-[[6-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine
SMILESCOc1ccc(CSc2ccc(S(=O)(=O)N3CCOCC3)cn2)cc1F
InChIInChI=1S/C17H19FN2O4S2/c1-23-16-4-2-13(10-15(16)18)12-25-17-5-3-14(11-19-17)26(21,22)20-6-8-24-9-7-20/h2-5,10-11H,6-9,12H2,1H3
InChIKeyUANDOMZSYSKBRH-UHFFFAOYSA-N
MW398.48 g/mol
LogP2.54
Rot. Bonds6

About 4-[[6-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine

4-[[6-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine (PubChem CID 7774884) has the molecular formula C17H19FN2O4S2 and a molecular weight of 398.48 g/mol. Its IUPAC name is 4-[[6-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine.

Molecular Properties

Compound Name4-[[6-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine
PubChem CID7774884
Molecular FormulaC17H19FN2O4S2
Molecular Weight398.48 g/mol
Exact Mass398.08
IUPAC Name4-[[6-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine
SMILESCOc1ccc(CSc2ccc(S(=O)(=O)N3CCOCC3)cn2)cc1F
InChIInChI=1S/C17H19FN2O4S2/c1-23-16-4-2-13(10-15(16)18)12-25-17-5-3-14(11-19-17)26(21,22)20-6-8-24-9-7-20/h2-5,10-11H,6-9,12H2,1H3
InChIKeyUANDOMZSYSKBRH-UHFFFAOYSA-N
XLogP2.54
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[6-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine?
The IUPAC name of 4-[[6-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine (CID 7774884) is 4-[[6-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine.
What is the SMILES notation for 4-[[6-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine?
The canonical SMILES for 4-[[6-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine is COc1ccc(CSc2ccc(S(=O)(=O)N3CCOCC3)cn2)cc1F.
What is the InChIKey of 4-[[6-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine?
The InChIKey is UANDOMZSYSKBRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O4S2/c1-23-16-4-2-13(10-15(16)18)12-25-17-5-3-14(11-19-17)26(21,22)20-6-8-24-9-7-20/h2-5,10-11H,6-9,12H2,1H3.
What are the key properties of 4-[[6-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine?
4-[[6-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine has a molecular weight of 398.48 g/mol, XLogP of 2.54, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine is sourced from PubChem (CID 7774884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).