2-(4-fluoro-2-methylphenoxy)-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)benzamide

C21H16F4N2O4S — CID 90465872

IUPAC2-(4-fluoro-2-methylphenoxy)-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)benzamide
SMILESCc1cc(F)ccc1Oc1ccc(C(F)(F)F)cc1C(=O)Nc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C21H16F4N2O4S/c1-12-9-14(22)6-8-18(12)31-19-7-5-13(21(23,24)25)10-17(19)20(28)27-15-3-2-4-16(11-15)32(26,29)30/h2-11H,1H3,(H,27,28)(H2,26,29,30)
InChIKeyILPVYHZNNPCAAY-UHFFFAOYSA-N
MW468.43 g/mol
LogP4.84
Rot. Bonds5

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

2-(4-fluoro-2-methylphenoxy)-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)benzamide (PubChem CID 90465872) has the molecular formula C21H16F4N2O4S and a molecular weight of 468.43 g/mol. Its IUPAC name is 2-(4-fluoro-2-methylphenoxy)-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-(4-fluoro-2-methylphenoxy)-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)benzamide
PubChem CID90465872
Molecular FormulaC21H16F4N2O4S
Molecular Weight468.43 g/mol
Exact Mass468.08
IUPAC Name2-(4-fluoro-2-methylphenoxy)-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)benzamide
SMILESCc1cc(F)ccc1Oc1ccc(C(F)(F)F)cc1C(=O)Nc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C21H16F4N2O4S/c1-12-9-14(22)6-8-18(12)31-19-7-5-13(21(23,24)25)10-17(19)20(28)27-15-3-2-4-16(11-15)32(26,29)30/h2-11H,1H3,(H,27,28)(H2,26,29,30)
InChIKeyILPVYHZNNPCAAY-UHFFFAOYSA-N
XLogP4.84
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.43
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-2-methylphenoxy)-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)benzamide?
The IUPAC name of 2-(4-fluoro-2-methylphenoxy)-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)benzamide (CID 90465872) is 2-(4-fluoro-2-methylphenoxy)-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-(4-fluoro-2-methylphenoxy)-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)benzamide?
The canonical SMILES for 2-(4-fluoro-2-methylphenoxy)-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)benzamide is Cc1cc(F)ccc1Oc1ccc(C(F)(F)F)cc1C(=O)Nc1cccc(S(N)(=O)=O)c1.
What is the InChIKey of 2-(4-fluoro-2-methylphenoxy)-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)benzamide?
The InChIKey is ILPVYHZNNPCAAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F4N2O4S/c1-12-9-14(22)6-8-18(12)31-19-7-5-13(21(23,24)25)10-17(19)20(28)27-15-3-2-4-16(11-15)32(26,29)30/h2-11H,1H3,(H,27,28)(H2,26,29,30).
What are the key properties of 2-(4-fluoro-2-methylphenoxy)-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)benzamide?
2-(4-fluoro-2-methylphenoxy)-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)benzamide has a molecular weight of 468.43 g/mol, XLogP of 4.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-2-methylphenoxy)-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 90465872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).