3-[6-(4-fluoro-3-hydroxyphenoxy)-2-pyridinyl]-N-phenylbenzenesulfonamide

C23H17FN2O4S — CID 166629893

IUPAC3-[6-(4-fluoro-3-hydroxyphenoxy)-2-pyridinyl]-N-phenylbenzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1)c1cccc(-c2cccc(Oc3ccc(F)c(O)c3)n2)c1
InChIInChI=1S/C23H17FN2O4S/c24-20-13-12-18(15-22(20)27)30-23-11-5-10-21(25-23)16-6-4-9-19(14-16)31(28,29)26-17-7-2-1-3-8-17/h1-15,26-27H
InChIKeyJYMIGKJVYZDMMP-UHFFFAOYSA-N
MW436.46 g/mol
LogP5.19
Rot. Bonds6

About 3-[6-(4-fluoro-3-hydroxyphenoxy)-2-pyridinyl]-N-phenylbenzenesulfonamide

3-[6-(4-fluoro-3-hydroxyphenoxy)-2-pyridinyl]-N-phenylbenzenesulfonamide (PubChem CID 166629893) has the molecular formula C23H17FN2O4S and a molecular weight of 436.46 g/mol. Its IUPAC name is 3-[6-(4-fluoro-3-hydroxyphenoxy)-2-pyridinyl]-N-phenylbenzenesulfonamide.

Molecular Properties

Compound Name3-[6-(4-fluoro-3-hydroxyphenoxy)-2-pyridinyl]-N-phenylbenzenesulfonamide
PubChem CID166629893
Molecular FormulaC23H17FN2O4S
Molecular Weight436.46 g/mol
Exact Mass436.09
IUPAC Name3-[6-(4-fluoro-3-hydroxyphenoxy)-2-pyridinyl]-N-phenylbenzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1)c1cccc(-c2cccc(Oc3ccc(F)c(O)c3)n2)c1
InChIInChI=1S/C23H17FN2O4S/c24-20-13-12-18(15-22(20)27)30-23-11-5-10-21(25-23)16-6-4-9-19(14-16)31(28,29)26-17-7-2-1-3-8-17/h1-15,26-27H
InChIKeyJYMIGKJVYZDMMP-UHFFFAOYSA-N
XLogP5.19
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.46
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[6-(4-fluoro-3-hydroxyphenoxy)-2-pyridinyl]-N-phenylbenzenesulfonamide?
The IUPAC name of 3-[6-(4-fluoro-3-hydroxyphenoxy)-2-pyridinyl]-N-phenylbenzenesulfonamide (CID 166629893) is 3-[6-(4-fluoro-3-hydroxyphenoxy)-2-pyridinyl]-N-phenylbenzenesulfonamide.
What is the SMILES notation for 3-[6-(4-fluoro-3-hydroxyphenoxy)-2-pyridinyl]-N-phenylbenzenesulfonamide?
The canonical SMILES for 3-[6-(4-fluoro-3-hydroxyphenoxy)-2-pyridinyl]-N-phenylbenzenesulfonamide is O=S(=O)(Nc1ccccc1)c1cccc(-c2cccc(Oc3ccc(F)c(O)c3)n2)c1.
What is the InChIKey of 3-[6-(4-fluoro-3-hydroxyphenoxy)-2-pyridinyl]-N-phenylbenzenesulfonamide?
The InChIKey is JYMIGKJVYZDMMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN2O4S/c24-20-13-12-18(15-22(20)27)30-23-11-5-10-21(25-23)16-6-4-9-19(14-16)31(28,29)26-17-7-2-1-3-8-17/h1-15,26-27H.
What are the key properties of 3-[6-(4-fluoro-3-hydroxyphenoxy)-2-pyridinyl]-N-phenylbenzenesulfonamide?
3-[6-(4-fluoro-3-hydroxyphenoxy)-2-pyridinyl]-N-phenylbenzenesulfonamide has a molecular weight of 436.46 g/mol, XLogP of 5.19, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(4-fluoro-3-hydroxyphenoxy)-2-pyridinyl]-N-phenylbenzenesulfonamide is sourced from PubChem (CID 166629893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).