4-(4-fluorophenyl)sulfonyl-2-pyridin-2-ylmorpholine

C15H15FN2O3S — CID 110270632

IUPAC4-(4-fluorophenyl)sulfonyl-2-pyridin-2-ylmorpholine
SMILESO=S(=O)(c1ccc(F)cc1)N1CCOC(c2ccccn2)C1
InChIInChI=1S/C15H15FN2O3S/c16-12-4-6-13(7-5-12)22(19,20)18-9-10-21-15(11-18)14-3-1-2-8-17-14/h1-8,15H,9-11H2
InChIKeyYLSJFLKDCFTHRK-UHFFFAOYSA-N
MW322.36 g/mol
LogP1.98
Rot. Bonds3

About 4-(4-fluorophenyl)sulfonyl-2-pyridin-2-ylmorpholine

4-(4-fluorophenyl)sulfonyl-2-pyridin-2-ylmorpholine (PubChem CID 110270632) has the molecular formula C15H15FN2O3S and a molecular weight of 322.36 g/mol. Its IUPAC name is 4-(4-fluorophenyl)sulfonyl-2-pyridin-2-ylmorpholine.

Molecular Properties

Compound Name4-(4-fluorophenyl)sulfonyl-2-pyridin-2-ylmorpholine
PubChem CID110270632
Molecular FormulaC15H15FN2O3S
Molecular Weight322.36 g/mol
Exact Mass322.08
IUPAC Name4-(4-fluorophenyl)sulfonyl-2-pyridin-2-ylmorpholine
SMILESO=S(=O)(c1ccc(F)cc1)N1CCOC(c2ccccn2)C1
InChIInChI=1S/C15H15FN2O3S/c16-12-4-6-13(7-5-12)22(19,20)18-9-10-21-15(11-18)14-3-1-2-8-17-14/h1-8,15H,9-11H2
InChIKeyYLSJFLKDCFTHRK-UHFFFAOYSA-N
XLogP1.98
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)sulfonyl-2-pyridin-2-ylmorpholine?
The IUPAC name of 4-(4-fluorophenyl)sulfonyl-2-pyridin-2-ylmorpholine (CID 110270632) is 4-(4-fluorophenyl)sulfonyl-2-pyridin-2-ylmorpholine.
What is the SMILES notation for 4-(4-fluorophenyl)sulfonyl-2-pyridin-2-ylmorpholine?
The canonical SMILES for 4-(4-fluorophenyl)sulfonyl-2-pyridin-2-ylmorpholine is O=S(=O)(c1ccc(F)cc1)N1CCOC(c2ccccn2)C1.
What is the InChIKey of 4-(4-fluorophenyl)sulfonyl-2-pyridin-2-ylmorpholine?
The InChIKey is YLSJFLKDCFTHRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O3S/c16-12-4-6-13(7-5-12)22(19,20)18-9-10-21-15(11-18)14-3-1-2-8-17-14/h1-8,15H,9-11H2.
What are the key properties of 4-(4-fluorophenyl)sulfonyl-2-pyridin-2-ylmorpholine?
4-(4-fluorophenyl)sulfonyl-2-pyridin-2-ylmorpholine has a molecular weight of 322.36 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)sulfonyl-2-pyridin-2-ylmorpholine is sourced from PubChem (CID 110270632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).