2-(2-fluoro-4-methoxyphenoxy)-N-(3-sulfamoylphenyl)quinoline-3-carboxamide

C23H18FN3O5S — CID 78319589

IUPAC2-(2-fluoro-4-methoxyphenoxy)-N-(3-sulfamoylphenyl)quinoline-3-carboxamide
SMILESCOc1ccc(Oc2nc3ccccc3cc2C(=O)Nc2cccc(S(N)(=O)=O)c2)c(F)c1
InChIInChI=1S/C23H18FN3O5S/c1-31-16-9-10-21(19(24)13-16)32-23-18(11-14-5-2-3-8-20(14)27-23)22(28)26-15-6-4-7-17(12-15)33(25,29)30/h2-13H,1H3,(H,26,28)(H2,25,29,30)
InChIKeyOCITYPJLIOKEOP-UHFFFAOYSA-N
MW467.48 g/mol
LogP4.07
Rot. Bonds6

About 2-(2-fluoro-4-methoxyphenoxy)-N-(3-sulfamoylphenyl)quinoline-3-carboxamide

2-(2-fluoro-4-methoxyphenoxy)-N-(3-sulfamoylphenyl)quinoline-3-carboxamide (PubChem CID 78319589) has the molecular formula C23H18FN3O5S and a molecular weight of 467.48 g/mol. Its IUPAC name is 2-(2-fluoro-4-methoxyphenoxy)-N-(3-sulfamoylphenyl)quinoline-3-carboxamide.

Molecular Properties

Compound Name2-(2-fluoro-4-methoxyphenoxy)-N-(3-sulfamoylphenyl)quinoline-3-carboxamide
PubChem CID78319589
Molecular FormulaC23H18FN3O5S
Molecular Weight467.48 g/mol
Exact Mass467.10
IUPAC Name2-(2-fluoro-4-methoxyphenoxy)-N-(3-sulfamoylphenyl)quinoline-3-carboxamide
SMILESCOc1ccc(Oc2nc3ccccc3cc2C(=O)Nc2cccc(S(N)(=O)=O)c2)c(F)c1
InChIInChI=1S/C23H18FN3O5S/c1-31-16-9-10-21(19(24)13-16)32-23-18(11-14-5-2-3-8-20(14)27-23)22(28)26-15-6-4-7-17(12-15)33(25,29)30/h2-13H,1H3,(H,26,28)(H2,25,29,30)
InChIKeyOCITYPJLIOKEOP-UHFFFAOYSA-N
XLogP4.07
TPSA120.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.48
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-4-methoxyphenoxy)-N-(3-sulfamoylphenyl)quinoline-3-carboxamide?
The IUPAC name of 2-(2-fluoro-4-methoxyphenoxy)-N-(3-sulfamoylphenyl)quinoline-3-carboxamide (CID 78319589) is 2-(2-fluoro-4-methoxyphenoxy)-N-(3-sulfamoylphenyl)quinoline-3-carboxamide.
What is the SMILES notation for 2-(2-fluoro-4-methoxyphenoxy)-N-(3-sulfamoylphenyl)quinoline-3-carboxamide?
The canonical SMILES for 2-(2-fluoro-4-methoxyphenoxy)-N-(3-sulfamoylphenyl)quinoline-3-carboxamide is COc1ccc(Oc2nc3ccccc3cc2C(=O)Nc2cccc(S(N)(=O)=O)c2)c(F)c1.
What is the InChIKey of 2-(2-fluoro-4-methoxyphenoxy)-N-(3-sulfamoylphenyl)quinoline-3-carboxamide?
The InChIKey is OCITYPJLIOKEOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN3O5S/c1-31-16-9-10-21(19(24)13-16)32-23-18(11-14-5-2-3-8-20(14)27-23)22(28)26-15-6-4-7-17(12-15)33(25,29)30/h2-13H,1H3,(H,26,28)(H2,25,29,30).
What are the key properties of 2-(2-fluoro-4-methoxyphenoxy)-N-(3-sulfamoylphenyl)quinoline-3-carboxamide?
2-(2-fluoro-4-methoxyphenoxy)-N-(3-sulfamoylphenyl)quinoline-3-carboxamide has a molecular weight of 467.48 g/mol, XLogP of 4.07, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-4-methoxyphenoxy)-N-(3-sulfamoylphenyl)quinoline-3-carboxamide is sourced from PubChem (CID 78319589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).