2-(2,4-difluorophenoxy)-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)benzamide

C20H13F5N2O4S — CID 90467630

IUPAC2-(2,4-difluorophenoxy)-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)benzamide
SMILESNS(=O)(=O)c1cccc(NC(=O)c2cc(C(F)(F)F)ccc2Oc2ccc(F)cc2F)c1
InChIInChI=1S/C20H13F5N2O4S/c21-12-5-7-18(16(22)9-12)31-17-6-4-11(20(23,24)25)8-15(17)19(28)27-13-2-1-3-14(10-13)32(26,29)30/h1-10H,(H,27,28)(H2,26,29,30)
InChIKeyRMAKWANTNZBDRA-UHFFFAOYSA-N
MW472.39 g/mol
LogP4.68
Rot. Bonds5

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

2-(2,4-difluorophenoxy)-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)benzamide (PubChem CID 90467630) has the molecular formula C20H13F5N2O4S and a molecular weight of 472.39 g/mol. Its IUPAC name is 2-(2,4-difluorophenoxy)-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-(2,4-difluorophenoxy)-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)benzamide
PubChem CID90467630
Molecular FormulaC20H13F5N2O4S
Molecular Weight472.39 g/mol
Exact Mass472.05
IUPAC Name2-(2,4-difluorophenoxy)-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)benzamide
SMILESNS(=O)(=O)c1cccc(NC(=O)c2cc(C(F)(F)F)ccc2Oc2ccc(F)cc2F)c1
InChIInChI=1S/C20H13F5N2O4S/c21-12-5-7-18(16(22)9-12)31-17-6-4-11(20(23,24)25)8-15(17)19(28)27-13-2-1-3-14(10-13)32(26,29)30/h1-10H,(H,27,28)(H2,26,29,30)
InChIKeyRMAKWANTNZBDRA-UHFFFAOYSA-N
XLogP4.68
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.39
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenoxy)-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)benzamide?
The IUPAC name of 2-(2,4-difluorophenoxy)-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)benzamide (CID 90467630) is 2-(2,4-difluorophenoxy)-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-(2,4-difluorophenoxy)-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)benzamide?
The canonical SMILES for 2-(2,4-difluorophenoxy)-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)benzamide is NS(=O)(=O)c1cccc(NC(=O)c2cc(C(F)(F)F)ccc2Oc2ccc(F)cc2F)c1.
What is the InChIKey of 2-(2,4-difluorophenoxy)-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)benzamide?
The InChIKey is RMAKWANTNZBDRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F5N2O4S/c21-12-5-7-18(16(22)9-12)31-17-6-4-11(20(23,24)25)8-15(17)19(28)27-13-2-1-3-14(10-13)32(26,29)30/h1-10H,(H,27,28)(H2,26,29,30).
What are the key properties of 2-(2,4-difluorophenoxy)-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)benzamide?
2-(2,4-difluorophenoxy)-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)benzamide has a molecular weight of 472.39 g/mol, XLogP of 4.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenoxy)-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 90467630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).