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

C21H16F4N2O5S — CID 90466178

IUPAC2-(3-fluoro-4-methoxyphenoxy)-N-(3-sulfamoylphenyl)-4-(trifluoromethyl)benzamide
SMILESCOc1ccc(Oc2cc(C(F)(F)F)ccc2C(=O)Nc2cccc(S(N)(=O)=O)c2)cc1F
InChIInChI=1S/C21H16F4N2O5S/c1-31-18-8-6-14(11-17(18)22)32-19-9-12(21(23,24)25)5-7-16(19)20(28)27-13-3-2-4-15(10-13)33(26,29)30/h2-11H,1H3,(H,27,28)(H2,26,29,30)
InChIKeyWNAFUWAAQRYOHR-UHFFFAOYSA-N
MW484.43 g/mol
LogP4.55
Rot. Bonds6

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

2-(3-fluoro-4-methoxyphenoxy)-N-(3-sulfamoylphenyl)-4-(trifluoromethyl)benzamide (PubChem CID 90466178) has the molecular formula C21H16F4N2O5S and a molecular weight of 484.43 g/mol. Its IUPAC name is 2-(3-fluoro-4-methoxyphenoxy)-N-(3-sulfamoylphenyl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-(3-fluoro-4-methoxyphenoxy)-N-(3-sulfamoylphenyl)-4-(trifluoromethyl)benzamide
PubChem CID90466178
Molecular FormulaC21H16F4N2O5S
Molecular Weight484.43 g/mol
Exact Mass484.07
IUPAC Name2-(3-fluoro-4-methoxyphenoxy)-N-(3-sulfamoylphenyl)-4-(trifluoromethyl)benzamide
SMILESCOc1ccc(Oc2cc(C(F)(F)F)ccc2C(=O)Nc2cccc(S(N)(=O)=O)c2)cc1F
InChIInChI=1S/C21H16F4N2O5S/c1-31-18-8-6-14(11-17(18)22)32-19-9-12(21(23,24)25)5-7-16(19)20(28)27-13-3-2-4-15(10-13)33(26,29)30/h2-11H,1H3,(H,27,28)(H2,26,29,30)
InChIKeyWNAFUWAAQRYOHR-UHFFFAOYSA-N
XLogP4.55
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.43
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methoxyphenoxy)-N-(3-sulfamoylphenyl)-4-(trifluoromethyl)benzamide?
The IUPAC name of 2-(3-fluoro-4-methoxyphenoxy)-N-(3-sulfamoylphenyl)-4-(trifluoromethyl)benzamide (CID 90466178) is 2-(3-fluoro-4-methoxyphenoxy)-N-(3-sulfamoylphenyl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-(3-fluoro-4-methoxyphenoxy)-N-(3-sulfamoylphenyl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for 2-(3-fluoro-4-methoxyphenoxy)-N-(3-sulfamoylphenyl)-4-(trifluoromethyl)benzamide is COc1ccc(Oc2cc(C(F)(F)F)ccc2C(=O)Nc2cccc(S(N)(=O)=O)c2)cc1F.
What is the InChIKey of 2-(3-fluoro-4-methoxyphenoxy)-N-(3-sulfamoylphenyl)-4-(trifluoromethyl)benzamide?
The InChIKey is WNAFUWAAQRYOHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F4N2O5S/c1-31-18-8-6-14(11-17(18)22)32-19-9-12(21(23,24)25)5-7-16(19)20(28)27-13-3-2-4-15(10-13)33(26,29)30/h2-11H,1H3,(H,27,28)(H2,26,29,30).
What are the key properties of 2-(3-fluoro-4-methoxyphenoxy)-N-(3-sulfamoylphenyl)-4-(trifluoromethyl)benzamide?
2-(3-fluoro-4-methoxyphenoxy)-N-(3-sulfamoylphenyl)-4-(trifluoromethyl)benzamide has a molecular weight of 484.43 g/mol, XLogP of 4.55, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methoxyphenoxy)-N-(3-sulfamoylphenyl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 90466178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).