2-(4-fluoro-2-methoxyphenoxy)-N-(3-sulfamoylphenyl)-4,6-bis(trifluoromethyl)benzamide

C22H15F7N2O5S — CID 90467358

IUPAC2-(4-fluoro-2-methoxyphenoxy)-N-(3-sulfamoylphenyl)-4,6-bis(trifluoromethyl)benzamide
SMILESCOc1cc(F)ccc1Oc1cc(C(F)(F)F)cc(C(F)(F)F)c1C(=O)Nc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C22H15F7N2O5S/c1-35-17-9-12(23)5-6-16(17)36-18-8-11(21(24,25)26)7-15(22(27,28)29)19(18)20(32)31-13-3-2-4-14(10-13)37(30,33)34/h2-10H,1H3,(H,31,32)(H2,30,33,34)
InChIKeyVRBWLDAGOWAMFS-UHFFFAOYSA-N
MW552.42 g/mol
LogP5.56
Rot. Bonds6

About 2-(4-fluoro-2-methoxyphenoxy)-N-(3-sulfamoylphenyl)-4,6-bis(trifluoromethyl)benzamide

2-(4-fluoro-2-methoxyphenoxy)-N-(3-sulfamoylphenyl)-4,6-bis(trifluoromethyl)benzamide (PubChem CID 90467358) has the molecular formula C22H15F7N2O5S and a molecular weight of 552.42 g/mol. Its IUPAC name is 2-(4-fluoro-2-methoxyphenoxy)-N-(3-sulfamoylphenyl)-4,6-bis(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-(4-fluoro-2-methoxyphenoxy)-N-(3-sulfamoylphenyl)-4,6-bis(trifluoromethyl)benzamide
PubChem CID90467358
Molecular FormulaC22H15F7N2O5S
Molecular Weight552.42 g/mol
Exact Mass552.06
IUPAC Name2-(4-fluoro-2-methoxyphenoxy)-N-(3-sulfamoylphenyl)-4,6-bis(trifluoromethyl)benzamide
SMILESCOc1cc(F)ccc1Oc1cc(C(F)(F)F)cc(C(F)(F)F)c1C(=O)Nc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C22H15F7N2O5S/c1-35-17-9-12(23)5-6-16(17)36-18-8-11(21(24,25)26)7-15(22(27,28)29)19(18)20(32)31-13-3-2-4-14(10-13)37(30,33)34/h2-10H,1H3,(H,31,32)(H2,30,33,34)
InChIKeyVRBWLDAGOWAMFS-UHFFFAOYSA-N
XLogP5.56
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.42
LogP ≤ 55.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[(E)-3-(2,3-dimethoxyphenyl)prop-2-enoyl]amino]-N-(3-sulfamoylphenyl)benzamide
CID 6063617
N-[3-(dimethylsulfamoyl)phenyl]-2-[(4-fluorophenyl)methoxy]benzamide
CID 16235325
2-(4-fluoro-2-methylphenoxy)-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)benzamide
CID 90465872
2-(4-fluoro-2-methoxyphenoxy)-N-(3-
CID 90465874
2-(3-fluoro-2-methoxyphenoxy)-N-(3-
CID 90465876
N-(3-sulfamoylphenyl)-2-(o-tolyloxy)-5-
CID 90466027
2-(2-chloro-4-fluorophenoxy)-N-(3-sulfamoylphenyl)-6-(trifluoromethyl)benzamide
CID 90466028
2-(2-methoxyphenoxy)-N-(3-sulfamoylphenyl)-
CID 90466029
2-(4-chloro-2-methoxyphenoxy)-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)benzamide
CID 90466030
2-(2,4-dimethoxyphenoxy)-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)benzamide
CID 90466031
2-(4-propan-2-yloxyphenoxy)-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)benzamide
CID 90466173
N-(3-sulfamoylphenyl)-2-[4-(trifluoromethoxy)phenoxy]-5-(trifluoromethyl)benzamide
CID 90466174

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-2-methoxyphenoxy)-N-(3-sulfamoylphenyl)-4,6-bis(trifluoromethyl)benzamide?
The IUPAC name of 2-(4-fluoro-2-methoxyphenoxy)-N-(3-sulfamoylphenyl)-4,6-bis(trifluoromethyl)benzamide (CID 90467358) is 2-(4-fluoro-2-methoxyphenoxy)-N-(3-sulfamoylphenyl)-4,6-bis(trifluoromethyl)benzamide.
What is the SMILES notation for 2-(4-fluoro-2-methoxyphenoxy)-N-(3-sulfamoylphenyl)-4,6-bis(trifluoromethyl)benzamide?
The canonical SMILES for 2-(4-fluoro-2-methoxyphenoxy)-N-(3-sulfamoylphenyl)-4,6-bis(trifluoromethyl)benzamide is COc1cc(F)ccc1Oc1cc(C(F)(F)F)cc(C(F)(F)F)c1C(=O)Nc1cccc(S(N)(=O)=O)c1.
What is the InChIKey of 2-(4-fluoro-2-methoxyphenoxy)-N-(3-sulfamoylphenyl)-4,6-bis(trifluoromethyl)benzamide?
The InChIKey is VRBWLDAGOWAMFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F7N2O5S/c1-35-17-9-12(23)5-6-16(17)36-18-8-11(21(24,25)26)7-15(22(27,28)29)19(18)20(32)31-13-3-2-4-14(10-13)37(30,33)34/h2-10H,1H3,(H,31,32)(H2,30,33,34).
What are the key properties of 2-(4-fluoro-2-methoxyphenoxy)-N-(3-sulfamoylphenyl)-4,6-bis(trifluoromethyl)benzamide?
2-(4-fluoro-2-methoxyphenoxy)-N-(3-sulfamoylphenyl)-4,6-bis(trifluoromethyl)benzamide has a molecular weight of 552.42 g/mol, XLogP of 5.56, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-2-methoxyphenoxy)-N-(3-sulfamoylphenyl)-4,6-bis(trifluoromethyl)benzamide is sourced from PubChem (CID 90467358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).