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

C21H17F3N2O5S — CID 90468046

IUPAC2-(4-methoxyphenoxy)-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)benzamide
SMILESCOc1ccc(Oc2ccc(C(F)(F)F)cc2C(=O)Nc2cccc(S(N)(=O)=O)c2)cc1
InChIInChI=1S/C21H17F3N2O5S/c1-30-15-6-8-16(9-7-15)31-19-10-5-13(21(22,23)24)11-18(19)20(27)26-14-3-2-4-17(12-14)32(25,28)29/h2-12H,1H3,(H,26,27)(H2,25,28,29)
InChIKeyZOHSWKUBNZZRMC-UHFFFAOYSA-N
MW466.44 g/mol
LogP4.41
Rot. Bonds6

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

2-(4-methoxyphenoxy)-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)benzamide (PubChem CID 90468046) has the molecular formula C21H17F3N2O5S and a molecular weight of 466.44 g/mol. Its IUPAC name is 2-(4-methoxyphenoxy)-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-(4-methoxyphenoxy)-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)benzamide
PubChem CID90468046
Molecular FormulaC21H17F3N2O5S
Molecular Weight466.44 g/mol
Exact Mass466.08
IUPAC Name2-(4-methoxyphenoxy)-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)benzamide
SMILESCOc1ccc(Oc2ccc(C(F)(F)F)cc2C(=O)Nc2cccc(S(N)(=O)=O)c2)cc1
InChIInChI=1S/C21H17F3N2O5S/c1-30-15-6-8-16(9-7-15)31-19-10-5-13(21(22,23)24)11-18(19)20(27)26-14-3-2-4-17(12-14)32(25,28)29/h2-12H,1H3,(H,26,27)(H2,25,28,29)
InChIKeyZOHSWKUBNZZRMC-UHFFFAOYSA-N
XLogP4.41
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.44
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenoxy)-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)benzamide?
The IUPAC name of 2-(4-methoxyphenoxy)-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)benzamide (CID 90468046) is 2-(4-methoxyphenoxy)-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-(4-methoxyphenoxy)-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)benzamide?
The canonical SMILES for 2-(4-methoxyphenoxy)-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)benzamide is COc1ccc(Oc2ccc(C(F)(F)F)cc2C(=O)Nc2cccc(S(N)(=O)=O)c2)cc1.
What is the InChIKey of 2-(4-methoxyphenoxy)-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)benzamide?
The InChIKey is ZOHSWKUBNZZRMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N2O5S/c1-30-15-6-8-16(9-7-15)31-19-10-5-13(21(22,23)24)11-18(19)20(27)26-14-3-2-4-17(12-14)32(25,28)29/h2-12H,1H3,(H,26,27)(H2,25,28,29).
What are the key properties of 2-(4-methoxyphenoxy)-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)benzamide?
2-(4-methoxyphenoxy)-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)benzamide has a molecular weight of 466.44 g/mol, XLogP of 4.41, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenoxy)-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 90468046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).