2-(4-ethoxyphenoxy)-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)benzamide

C22H19F3N2O5S — CID 90468047

IUPAC2-(4-ethoxyphenoxy)-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)benzamide
SMILESCCOc1ccc(Oc2ccc(C(F)(F)F)cc2C(=O)Nc2cccc(S(N)(=O)=O)c2)cc1
InChIInChI=1S/C22H19F3N2O5S/c1-2-31-16-7-9-17(10-8-16)32-20-11-6-14(22(23,24)25)12-19(20)21(28)27-15-4-3-5-18(13-15)33(26,29)30/h3-13H,2H2,1H3,(H,27,28)(H2,26,29,30)
InChIKeyCZRLTQDQAYXFOG-UHFFFAOYSA-N
MW480.46 g/mol
LogP4.80
Rot. Bonds7

About 2-(4-ethoxyphenoxy)-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)benzamide

2-(4-ethoxyphenoxy)-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)benzamide (PubChem CID 90468047) has the molecular formula C22H19F3N2O5S and a molecular weight of 480.46 g/mol. Its IUPAC name is 2-(4-ethoxyphenoxy)-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-(4-ethoxyphenoxy)-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)benzamide
PubChem CID90468047
Molecular FormulaC22H19F3N2O5S
Molecular Weight480.46 g/mol
Exact Mass480.10
IUPAC Name2-(4-ethoxyphenoxy)-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)benzamide
SMILESCCOc1ccc(Oc2ccc(C(F)(F)F)cc2C(=O)Nc2cccc(S(N)(=O)=O)c2)cc1
InChIInChI=1S/C22H19F3N2O5S/c1-2-31-16-7-9-17(10-8-16)32-20-11-6-14(22(23,24)25)12-19(20)21(28)27-15-4-3-5-18(13-15)33(26,29)30/h3-13H,2H2,1H3,(H,27,28)(H2,26,29,30)
InChIKeyCZRLTQDQAYXFOG-UHFFFAOYSA-N
XLogP4.80
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.46
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenoxy)-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)benzamide?
The IUPAC name of 2-(4-ethoxyphenoxy)-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)benzamide (CID 90468047) is 2-(4-ethoxyphenoxy)-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-(4-ethoxyphenoxy)-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)benzamide?
The canonical SMILES for 2-(4-ethoxyphenoxy)-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)benzamide is CCOc1ccc(Oc2ccc(C(F)(F)F)cc2C(=O)Nc2cccc(S(N)(=O)=O)c2)cc1.
What is the InChIKey of 2-(4-ethoxyphenoxy)-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)benzamide?
The InChIKey is CZRLTQDQAYXFOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N2O5S/c1-2-31-16-7-9-17(10-8-16)32-20-11-6-14(22(23,24)25)12-19(20)21(28)27-15-4-3-5-18(13-15)33(26,29)30/h3-13H,2H2,1H3,(H,27,28)(H2,26,29,30).
What are the key properties of 2-(4-ethoxyphenoxy)-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)benzamide?
2-(4-ethoxyphenoxy)-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)benzamide has a molecular weight of 480.46 g/mol, XLogP of 4.80, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenoxy)-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 90468047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).