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

C21H16F4N2O5S — CID 90467902

IUPAC2-(4-fluoro-2-methoxyphenoxy)-N-(3-sulfamoylphenyl)-4-(trifluoromethyl)benzamide
SMILESCOc1cc(F)ccc1Oc1cc(C(F)(F)F)ccc1C(=O)Nc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C21H16F4N2O5S/c1-31-19-10-13(22)6-8-17(19)32-18-9-12(21(23,24)25)5-7-16(18)20(28)27-14-3-2-4-15(11-14)33(26,29)30/h2-11H,1H3,(H,27,28)(H2,26,29,30)
InChIKeyXLYVFIXMSCHNNX-UHFFFAOYSA-N
MW484.43 g/mol
LogP4.55
Rot. Bonds6

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

2-(4-fluoro-2-methoxyphenoxy)-N-(3-sulfamoylphenyl)-4-(trifluoromethyl)benzamide (PubChem CID 90467902) has the molecular formula C21H16F4N2O5S and a molecular weight of 484.43 g/mol. Its IUPAC name is 2-(4-fluoro-2-methoxyphenoxy)-N-(3-sulfamoylphenyl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-(4-fluoro-2-methoxyphenoxy)-N-(3-sulfamoylphenyl)-4-(trifluoromethyl)benzamide
PubChem CID90467902
Molecular FormulaC21H16F4N2O5S
Molecular Weight484.43 g/mol
Exact Mass484.07
IUPAC Name2-(4-fluoro-2-methoxyphenoxy)-N-(3-sulfamoylphenyl)-4-(trifluoromethyl)benzamide
SMILESCOc1cc(F)ccc1Oc1cc(C(F)(F)F)ccc1C(=O)Nc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C21H16F4N2O5S/c1-31-19-10-13(22)6-8-17(19)32-18-9-12(21(23,24)25)5-7-16(18)20(28)27-14-3-2-4-15(11-14)33(26,29)30/h2-11H,1H3,(H,27,28)(H2,26,29,30)
InChIKeyXLYVFIXMSCHNNX-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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Related Compounds

4-cyano-2-(4-fluoro-2-methoxyphenoxy)-N-(3-sulfamoylphenyl)benzamide
CID 90467765
2-(4-chloro-2-methoxyphenoxy)-4-(1,1,2,2,2-pentafluoroethyl)-N-(3-sulfamoylphenyl)benzamide
CID 90466907
2,4-dichloro-6-(4-fluoro-2-methoxyphenoxy)-N-(3-sulfamoylphenyl)benzamide
CID 90467489
5-fluoro-2-methoxy-N-[3-(trifluoromethyl)phenyl]benzamide
CID 34754187
3-(4-fluoro-2-methoxyphenoxy)-N-(3-methylsulfonylphenyl)-6-(trifluoromethyl)pyridazine-4-carboxamide
CID 167197861
3-(4-fluoro-2-hydroxyphenoxy)-N-(3-sulfamoylphenyl)-6-(trifluoromethyl)pyridazine-4-carboxamide
CID 167198832
4-tert-butyl-2-[(2,6-dimethyl-4-pyridinyl)oxy]-N-(3-sulfamoylphenyl)benzamide
CID 58988094
3-(4-cyano-2-methoxyphenoxy)-N-(3-sulfamoylphenyl)-6-(trifluoromethyl)pyridazine-4-carboxamide
CID 167199380
2-(3-fluoro-4-methoxyphenoxy)-N-(3-sulfamoylphenyl)-6-(trifluoromethyl)benzamide
CID 90466612
N-[3,5-bis[4-(trifluoromethyl)phenyl]phenyl]-2-methoxy-5-sulfamoylbenzamide
CID 87097833
3-methoxy-N-(3-sulfamoylphenyl)pyridine-4-carboxamide
CID 105064331
2-[4-fluoro-2-[2-(methanesulfonamido)ethoxy]phenoxy]-N-(2-methoxy-4-pyridinyl)-4-(trifluoromethyl)benzamide
CID 163361501

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-2-methoxyphenoxy)-N-(3-sulfamoylphenyl)-4-(trifluoromethyl)benzamide?
The IUPAC name of 2-(4-fluoro-2-methoxyphenoxy)-N-(3-sulfamoylphenyl)-4-(trifluoromethyl)benzamide (CID 90467902) is 2-(4-fluoro-2-methoxyphenoxy)-N-(3-sulfamoylphenyl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-(4-fluoro-2-methoxyphenoxy)-N-(3-sulfamoylphenyl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for 2-(4-fluoro-2-methoxyphenoxy)-N-(3-sulfamoylphenyl)-4-(trifluoromethyl)benzamide is COc1cc(F)ccc1Oc1cc(C(F)(F)F)ccc1C(=O)Nc1cccc(S(N)(=O)=O)c1.
What is the InChIKey of 2-(4-fluoro-2-methoxyphenoxy)-N-(3-sulfamoylphenyl)-4-(trifluoromethyl)benzamide?
The InChIKey is XLYVFIXMSCHNNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F4N2O5S/c1-31-19-10-13(22)6-8-17(19)32-18-9-12(21(23,24)25)5-7-16(18)20(28)27-14-3-2-4-15(11-14)33(26,29)30/h2-11H,1H3,(H,27,28)(H2,26,29,30).
What are the key properties of 2-(4-fluoro-2-methoxyphenoxy)-N-(3-sulfamoylphenyl)-4-(trifluoromethyl)benzamide?
2-(4-fluoro-2-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-(4-fluoro-2-methoxyphenoxy)-N-(3-sulfamoylphenyl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 90467902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).