2-(2-chloro-4-fluorophenoxy)-N-(3-sulfamoylphenyl)-6-(trifluoromethyl)benzamide

C20H13ClF4N2O4S — CID 90466028

IUPAC2-(2-chloro-4-fluorophenoxy)-N-(3-sulfamoylphenyl)-6-(trifluoromethyl)benzamide
SMILESNS(=O)(=O)c1cccc(NC(=O)c2c(Oc3ccc(F)cc3Cl)cccc2C(F)(F)F)c1
InChIInChI=1S/C20H13ClF4N2O4S/c21-15-9-11(22)7-8-16(15)31-17-6-2-5-14(20(23,24)25)18(17)19(28)27-12-3-1-4-13(10-12)32(26,29)30/h1-10H,(H,27,28)(H2,26,29,30)
InChIKeyGLYONJOHRRWFQM-UHFFFAOYSA-N
MW488.85 g/mol
LogP5.19
Rot. Bonds5

About 2-(2-chloro-4-fluorophenoxy)-N-(3-sulfamoylphenyl)-6-(trifluoromethyl)benzamide

2-(2-chloro-4-fluorophenoxy)-N-(3-sulfamoylphenyl)-6-(trifluoromethyl)benzamide (PubChem CID 90466028) has the molecular formula C20H13ClF4N2O4S and a molecular weight of 488.85 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenoxy)-N-(3-sulfamoylphenyl)-6-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenoxy)-N-(3-sulfamoylphenyl)-6-(trifluoromethyl)benzamide
PubChem CID90466028
Molecular FormulaC20H13ClF4N2O4S
Molecular Weight488.85 g/mol
Exact Mass488.02
IUPAC Name2-(2-chloro-4-fluorophenoxy)-N-(3-sulfamoylphenyl)-6-(trifluoromethyl)benzamide
SMILESNS(=O)(=O)c1cccc(NC(=O)c2c(Oc3ccc(F)cc3Cl)cccc2C(F)(F)F)c1
InChIInChI=1S/C20H13ClF4N2O4S/c21-15-9-11(22)7-8-16(15)31-17-6-2-5-14(20(23,24)25)18(17)19(28)27-12-3-1-4-13(10-12)32(26,29)30/h1-10H,(H,27,28)(H2,26,29,30)
InChIKeyGLYONJOHRRWFQM-UHFFFAOYSA-N
XLogP5.19
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.85
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenoxy)-N-(3-sulfamoylphenyl)-6-(trifluoromethyl)benzamide?
The IUPAC name of 2-(2-chloro-4-fluorophenoxy)-N-(3-sulfamoylphenyl)-6-(trifluoromethyl)benzamide (CID 90466028) is 2-(2-chloro-4-fluorophenoxy)-N-(3-sulfamoylphenyl)-6-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-(2-chloro-4-fluorophenoxy)-N-(3-sulfamoylphenyl)-6-(trifluoromethyl)benzamide?
The canonical SMILES for 2-(2-chloro-4-fluorophenoxy)-N-(3-sulfamoylphenyl)-6-(trifluoromethyl)benzamide is NS(=O)(=O)c1cccc(NC(=O)c2c(Oc3ccc(F)cc3Cl)cccc2C(F)(F)F)c1.
What is the InChIKey of 2-(2-chloro-4-fluorophenoxy)-N-(3-sulfamoylphenyl)-6-(trifluoromethyl)benzamide?
The InChIKey is GLYONJOHRRWFQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClF4N2O4S/c21-15-9-11(22)7-8-16(15)31-17-6-2-5-14(20(23,24)25)18(17)19(28)27-12-3-1-4-13(10-12)32(26,29)30/h1-10H,(H,27,28)(H2,26,29,30).
What are the key properties of 2-(2-chloro-4-fluorophenoxy)-N-(3-sulfamoylphenyl)-6-(trifluoromethyl)benzamide?
2-(2-chloro-4-fluorophenoxy)-N-(3-sulfamoylphenyl)-6-(trifluoromethyl)benzamide has a molecular weight of 488.85 g/mol, XLogP of 5.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-fluorophenoxy)-N-(3-sulfamoylphenyl)-6-(trifluoromethyl)benzamide is sourced from PubChem (CID 90466028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).