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

C23H17FN2O4S — CID 166632211

IUPACN-[3-[6-(4-fluoro-3-hydroxyphenoxy)-2-pyridinyl]phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(-c2cccc(Oc3ccc(F)c(O)c3)n2)c1)c1ccccc1
InChIInChI=1S/C23H17FN2O4S/c24-20-13-12-18(15-22(20)27)30-23-11-5-10-21(25-23)16-6-4-7-17(14-16)26-31(28,29)19-8-2-1-3-9-19/h1-15,26-27H
InChIKeyHNNFKHOWHJDZAS-UHFFFAOYSA-N
MW436.46 g/mol
LogP5.19
Rot. Bonds6

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

N-[3-[6-(4-fluoro-3-hydroxyphenoxy)-2-pyridinyl]phenyl]benzenesulfonamide (PubChem CID 166632211) has the molecular formula C23H17FN2O4S and a molecular weight of 436.46 g/mol. Its IUPAC name is N-[3-[6-(4-fluoro-3-hydroxyphenoxy)-2-pyridinyl]phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[3-[6-(4-fluoro-3-hydroxyphenoxy)-2-pyridinyl]phenyl]benzenesulfonamide
PubChem CID166632211
Molecular FormulaC23H17FN2O4S
Molecular Weight436.46 g/mol
Exact Mass436.09
IUPAC NameN-[3-[6-(4-fluoro-3-hydroxyphenoxy)-2-pyridinyl]phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(-c2cccc(Oc3ccc(F)c(O)c3)n2)c1)c1ccccc1
InChIInChI=1S/C23H17FN2O4S/c24-20-13-12-18(15-22(20)27)30-23-11-5-10-21(25-23)16-6-4-7-17(14-16)26-31(28,29)19-8-2-1-3-9-19/h1-15,26-27H
InChIKeyHNNFKHOWHJDZAS-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 N-[3-[6-(4-fluoro-3-hydroxyphenoxy)-2-pyridinyl]phenyl]benzenesulfonamide?
The IUPAC name of N-[3-[6-(4-fluoro-3-hydroxyphenoxy)-2-pyridinyl]phenyl]benzenesulfonamide (CID 166632211) is N-[3-[6-(4-fluoro-3-hydroxyphenoxy)-2-pyridinyl]phenyl]benzenesulfonamide.
What is the SMILES notation for N-[3-[6-(4-fluoro-3-hydroxyphenoxy)-2-pyridinyl]phenyl]benzenesulfonamide?
The canonical SMILES for N-[3-[6-(4-fluoro-3-hydroxyphenoxy)-2-pyridinyl]phenyl]benzenesulfonamide is O=S(=O)(Nc1cccc(-c2cccc(Oc3ccc(F)c(O)c3)n2)c1)c1ccccc1.
What is the InChIKey of N-[3-[6-(4-fluoro-3-hydroxyphenoxy)-2-pyridinyl]phenyl]benzenesulfonamide?
The InChIKey is HNNFKHOWHJDZAS-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)16-6-4-7-17(14-16)26-31(28,29)19-8-2-1-3-9-19/h1-15,26-27H.
What are the key properties of N-[3-[6-(4-fluoro-3-hydroxyphenoxy)-2-pyridinyl]phenyl]benzenesulfonamide?
N-[3-[6-(4-fluoro-3-hydroxyphenoxy)-2-pyridinyl]phenyl]benzenesulfonamide 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 N-[3-[6-(4-fluoro-3-hydroxyphenoxy)-2-pyridinyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 166632211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).