2-[4-(difluoromethoxy)phenoxy]-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)benzamide

C21H15F5N2O5S — CID 90466176

IUPAC2-[4-(difluoromethoxy)phenoxy]-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)benzamide
SMILESNS(=O)(=O)c1cccc(NC(=O)c2cc(C(F)(F)F)ccc2Oc2ccc(OC(F)F)cc2)c1
InChIInChI=1S/C21H15F5N2O5S/c22-20(23)33-15-7-5-14(6-8-15)32-18-9-4-12(21(24,25)26)10-17(18)19(29)28-13-2-1-3-16(11-13)34(27,30)31/h1-11,20H,(H,28,29)(H2,27,30,31)
InChIKeyYKXAEPXBCFFOQQ-UHFFFAOYSA-N
MW502.42 g/mol
LogP5.00
Rot. Bonds7

About 2-[4-(difluoromethoxy)phenoxy]-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)benzamide

2-[4-(difluoromethoxy)phenoxy]-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)benzamide (PubChem CID 90466176) has the molecular formula C21H15F5N2O5S and a molecular weight of 502.42 g/mol. Its IUPAC name is 2-[4-(difluoromethoxy)phenoxy]-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-[4-(difluoromethoxy)phenoxy]-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)benzamide
PubChem CID90466176
Molecular FormulaC21H15F5N2O5S
Molecular Weight502.42 g/mol
Exact Mass502.06
IUPAC Name2-[4-(difluoromethoxy)phenoxy]-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)benzamide
SMILESNS(=O)(=O)c1cccc(NC(=O)c2cc(C(F)(F)F)ccc2Oc2ccc(OC(F)F)cc2)c1
InChIInChI=1S/C21H15F5N2O5S/c22-20(23)33-15-7-5-14(6-8-15)32-18-9-4-12(21(24,25)26)10-17(18)19(29)28-13-2-1-3-16(11-13)34(27,30)31/h1-11,20H,(H,28,29)(H2,27,30,31)
InChIKeyYKXAEPXBCFFOQQ-UHFFFAOYSA-N
XLogP5.00
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.42
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethoxy)phenoxy]-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)benzamide?
The IUPAC name of 2-[4-(difluoromethoxy)phenoxy]-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)benzamide (CID 90466176) is 2-[4-(difluoromethoxy)phenoxy]-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-[4-(difluoromethoxy)phenoxy]-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)benzamide?
The canonical SMILES for 2-[4-(difluoromethoxy)phenoxy]-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)benzamide is NS(=O)(=O)c1cccc(NC(=O)c2cc(C(F)(F)F)ccc2Oc2ccc(OC(F)F)cc2)c1.
What is the InChIKey of 2-[4-(difluoromethoxy)phenoxy]-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)benzamide?
The InChIKey is YKXAEPXBCFFOQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F5N2O5S/c22-20(23)33-15-7-5-14(6-8-15)32-18-9-4-12(21(24,25)26)10-17(18)19(29)28-13-2-1-3-16(11-13)34(27,30)31/h1-11,20H,(H,28,29)(H2,27,30,31).
What are the key properties of 2-[4-(difluoromethoxy)phenoxy]-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)benzamide?
2-[4-(difluoromethoxy)phenoxy]-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)benzamide has a molecular weight of 502.42 g/mol, XLogP of 5.00, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethoxy)phenoxy]-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 90466176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).