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

C20H14F4N2O4S — CID 90467629

IUPAC2-(4-fluorophenoxy)-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)benzamide
SMILESNS(=O)(=O)c1cccc(NC(=O)c2cc(C(F)(F)F)ccc2Oc2ccc(F)cc2)c1
InChIInChI=1S/C20H14F4N2O4S/c21-13-5-7-15(8-6-13)30-18-9-4-12(20(22,23)24)10-17(18)19(27)26-14-2-1-3-16(11-14)31(25,28)29/h1-11H,(H,26,27)(H2,25,28,29)
InChIKeyVOSWCXKFFDRPPA-UHFFFAOYSA-N
MW454.40 g/mol
LogP4.54
Rot. Bonds5

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

2-(4-fluorophenoxy)-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)benzamide (PubChem CID 90467629) has the molecular formula C20H14F4N2O4S and a molecular weight of 454.40 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)benzamide
PubChem CID90467629
Molecular FormulaC20H14F4N2O4S
Molecular Weight454.40 g/mol
Exact Mass454.06
IUPAC Name2-(4-fluorophenoxy)-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)benzamide
SMILESNS(=O)(=O)c1cccc(NC(=O)c2cc(C(F)(F)F)ccc2Oc2ccc(F)cc2)c1
InChIInChI=1S/C20H14F4N2O4S/c21-13-5-7-15(8-6-13)30-18-9-4-12(20(22,23)24)10-17(18)19(27)26-14-2-1-3-16(11-14)31(25,28)29/h1-11H,(H,26,27)(H2,25,28,29)
InChIKeyVOSWCXKFFDRPPA-UHFFFAOYSA-N
XLogP4.54
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.40
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)benzamide?
The IUPAC name of 2-(4-fluorophenoxy)-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)benzamide (CID 90467629) is 2-(4-fluorophenoxy)-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-(4-fluorophenoxy)-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)benzamide?
The canonical SMILES for 2-(4-fluorophenoxy)-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)benzamide is NS(=O)(=O)c1cccc(NC(=O)c2cc(C(F)(F)F)ccc2Oc2ccc(F)cc2)c1.
What is the InChIKey of 2-(4-fluorophenoxy)-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)benzamide?
The InChIKey is VOSWCXKFFDRPPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F4N2O4S/c21-13-5-7-15(8-6-13)30-18-9-4-12(20(22,23)24)10-17(18)19(27)26-14-2-1-3-16(11-14)31(25,28)29/h1-11H,(H,26,27)(H2,25,28,29).
What are the key properties of 2-(4-fluorophenoxy)-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)benzamide?
2-(4-fluorophenoxy)-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)benzamide has a molecular weight of 454.40 g/mol, XLogP of 4.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 90467629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).