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

C15H15FN2O3S — CID 95844763

IUPAC(2S)-4-(4-fluorophenyl)sulfonyl-2-pyridin-2-ylmorpholine
SMILESO=S(=O)(c1ccc(F)cc1)N1CCO[C@H](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/t15-/m0/s1
InChIKeyYLSJFLKDCFTHRK-HNNXBMFYSA-N
MW322.36 g/mol
LogP1.98
Rot. Bonds3

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

(2S)-4-(4-fluorophenyl)sulfonyl-2-pyridin-2-ylmorpholine (PubChem CID 95844763) has the molecular formula C15H15FN2O3S and a molecular weight of 322.36 g/mol. Its IUPAC name is (2S)-4-(4-fluorophenyl)sulfonyl-2-pyridin-2-ylmorpholine.

Molecular Properties

Compound Name(2S)-4-(4-fluorophenyl)sulfonyl-2-pyridin-2-ylmorpholine
PubChem CID95844763
Molecular FormulaC15H15FN2O3S
Molecular Weight322.36 g/mol
Exact Mass322.08
IUPAC Name(2S)-4-(4-fluorophenyl)sulfonyl-2-pyridin-2-ylmorpholine
SMILESO=S(=O)(c1ccc(F)cc1)N1CCO[C@H](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/t15-/m0/s1
InChIKeyYLSJFLKDCFTHRK-HNNXBMFYSA-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 (2S)-4-(4-fluorophenyl)sulfonyl-2-pyridin-2-ylmorpholine?
The IUPAC name of (2S)-4-(4-fluorophenyl)sulfonyl-2-pyridin-2-ylmorpholine (CID 95844763) is (2S)-4-(4-fluorophenyl)sulfonyl-2-pyridin-2-ylmorpholine.
What is the SMILES notation for (2S)-4-(4-fluorophenyl)sulfonyl-2-pyridin-2-ylmorpholine?
The canonical SMILES for (2S)-4-(4-fluorophenyl)sulfonyl-2-pyridin-2-ylmorpholine is O=S(=O)(c1ccc(F)cc1)N1CCO[C@H](c2ccccn2)C1.
What is the InChIKey of (2S)-4-(4-fluorophenyl)sulfonyl-2-pyridin-2-ylmorpholine?
The InChIKey is YLSJFLKDCFTHRK-HNNXBMFYSA-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/t15-/m0/s1.
What are the key properties of (2S)-4-(4-fluorophenyl)sulfonyl-2-pyridin-2-ylmorpholine?
(2S)-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 (2S)-4-(4-fluorophenyl)sulfonyl-2-pyridin-2-ylmorpholine is sourced from PubChem (CID 95844763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).