2-(2-chloro-4-fluorophenoxy)-N-(3-sulfamoylphenyl)quinoline-3-carboxamide

C22H15ClFN3O4S — CID 78319559

IUPAC2-(2-chloro-4-fluorophenoxy)-N-(3-sulfamoylphenyl)quinoline-3-carboxamide
SMILESNS(=O)(=O)c1cccc(NC(=O)c2cc3ccccc3nc2Oc2ccc(F)cc2Cl)c1
InChIInChI=1S/C22H15ClFN3O4S/c23-18-11-14(24)8-9-20(18)31-22-17(10-13-4-1-2-7-19(13)27-22)21(28)26-15-5-3-6-16(12-15)32(25,29)30/h1-12H,(H,26,28)(H2,25,29,30)
InChIKeyKKPMVXMUXIYRNH-UHFFFAOYSA-N
MW471.90 g/mol
LogP4.72
Rot. Bonds5

About 2-(2-chloro-4-fluorophenoxy)-N-(3-sulfamoylphenyl)quinoline-3-carboxamide

2-(2-chloro-4-fluorophenoxy)-N-(3-sulfamoylphenyl)quinoline-3-carboxamide (PubChem CID 78319559) has the molecular formula C22H15ClFN3O4S and a molecular weight of 471.90 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenoxy)-N-(3-sulfamoylphenyl)quinoline-3-carboxamide.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenoxy)-N-(3-sulfamoylphenyl)quinoline-3-carboxamide
PubChem CID78319559
Molecular FormulaC22H15ClFN3O4S
Molecular Weight471.90 g/mol
Exact Mass471.05
IUPAC Name2-(2-chloro-4-fluorophenoxy)-N-(3-sulfamoylphenyl)quinoline-3-carboxamide
SMILESNS(=O)(=O)c1cccc(NC(=O)c2cc3ccccc3nc2Oc2ccc(F)cc2Cl)c1
InChIInChI=1S/C22H15ClFN3O4S/c23-18-11-14(24)8-9-20(18)31-22-17(10-13-4-1-2-7-19(13)27-22)21(28)26-15-5-3-6-16(12-15)32(25,29)30/h1-12H,(H,26,28)(H2,25,29,30)
InChIKeyKKPMVXMUXIYRNH-UHFFFAOYSA-N
XLogP4.72
TPSA111.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.90
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenoxy)-N-(3-sulfamoylphenyl)quinoline-3-carboxamide?
The IUPAC name of 2-(2-chloro-4-fluorophenoxy)-N-(3-sulfamoylphenyl)quinoline-3-carboxamide (CID 78319559) is 2-(2-chloro-4-fluorophenoxy)-N-(3-sulfamoylphenyl)quinoline-3-carboxamide.
What is the SMILES notation for 2-(2-chloro-4-fluorophenoxy)-N-(3-sulfamoylphenyl)quinoline-3-carboxamide?
The canonical SMILES for 2-(2-chloro-4-fluorophenoxy)-N-(3-sulfamoylphenyl)quinoline-3-carboxamide is NS(=O)(=O)c1cccc(NC(=O)c2cc3ccccc3nc2Oc2ccc(F)cc2Cl)c1.
What is the InChIKey of 2-(2-chloro-4-fluorophenoxy)-N-(3-sulfamoylphenyl)quinoline-3-carboxamide?
The InChIKey is KKPMVXMUXIYRNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClFN3O4S/c23-18-11-14(24)8-9-20(18)31-22-17(10-13-4-1-2-7-19(13)27-22)21(28)26-15-5-3-6-16(12-15)32(25,29)30/h1-12H,(H,26,28)(H2,25,29,30).
What are the key properties of 2-(2-chloro-4-fluorophenoxy)-N-(3-sulfamoylphenyl)quinoline-3-carboxamide?
2-(2-chloro-4-fluorophenoxy)-N-(3-sulfamoylphenyl)quinoline-3-carboxamide has a molecular weight of 471.90 g/mol, XLogP of 4.72, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-fluorophenoxy)-N-(3-sulfamoylphenyl)quinoline-3-carboxamide is sourced from PubChem (CID 78319559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).