(E)-N-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-2-phenylethenesulfonamide

C25H19FN2O3S — CID 57406603

IUPAC(E)-N-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-2-phenylethenesulfonamide
SMILESO=S(=O)(/C=C/c1ccccc1)Nc1cccc(-c2ccc(Oc3ccc(F)cc3)cc2)n1
InChIInChI=1S/C25H19FN2O3S/c26-21-11-15-23(16-12-21)31-22-13-9-20(10-14-22)24-7-4-8-25(27-24)28-32(29,30)18-17-19-5-2-1-3-6-19/h1-18H,(H,27,28)/b18-17+
InChIKeyYXEPVCPONGWLNE-ISLYRVAYSA-N
MW446.50 g/mol
LogP6.09
Rot. Bonds7

About (E)-N-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-2-phenylethenesulfonamide

(E)-N-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-2-phenylethenesulfonamide (PubChem CID 57406603) has the molecular formula C25H19FN2O3S and a molecular weight of 446.50 g/mol. Its IUPAC name is (E)-N-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-2-phenylethenesulfonamide.

Molecular Properties

Compound Name(E)-N-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-2-phenylethenesulfonamide
PubChem CID57406603
Molecular FormulaC25H19FN2O3S
Molecular Weight446.50 g/mol
Exact Mass446.11
IUPAC Name(E)-N-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-2-phenylethenesulfonamide
SMILESO=S(=O)(/C=C/c1ccccc1)Nc1cccc(-c2ccc(Oc3ccc(F)cc3)cc2)n1
InChIInChI=1S/C25H19FN2O3S/c26-21-11-15-23(16-12-21)31-22-13-9-20(10-14-22)24-7-4-8-25(27-24)28-32(29,30)18-17-19-5-2-1-3-6-19/h1-18H,(H,27,28)/b18-17+
InChIKeyYXEPVCPONGWLNE-ISLYRVAYSA-N
XLogP6.09
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.50
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (E)-N-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-2-phenylethenesulfonamide?
The IUPAC name of (E)-N-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-2-phenylethenesulfonamide (CID 57406603) is (E)-N-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-2-phenylethenesulfonamide.
What is the SMILES notation for (E)-N-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-2-phenylethenesulfonamide?
The canonical SMILES for (E)-N-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-2-phenylethenesulfonamide is O=S(=O)(/C=C/c1ccccc1)Nc1cccc(-c2ccc(Oc3ccc(F)cc3)cc2)n1.
What is the InChIKey of (E)-N-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-2-phenylethenesulfonamide?
The InChIKey is YXEPVCPONGWLNE-ISLYRVAYSA-N. The full InChI is InChI=1S/C25H19FN2O3S/c26-21-11-15-23(16-12-21)31-22-13-9-20(10-14-22)24-7-4-8-25(27-24)28-32(29,30)18-17-19-5-2-1-3-6-19/h1-18H,(H,27,28)/b18-17+.
What are the key properties of (E)-N-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-2-phenylethenesulfonamide?
(E)-N-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-2-phenylethenesulfonamide has a molecular weight of 446.50 g/mol, XLogP of 6.09, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-2-phenylethenesulfonamide is sourced from PubChem (CID 57406603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).