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

C21H16F4N2O5S — CID 90466612

IUPAC2-(3-fluoro-4-methoxyphenoxy)-N-(3-sulfamoylphenyl)-6-(trifluoromethyl)benzamide
SMILESCOc1ccc(Oc2cccc(C(F)(F)F)c2C(=O)Nc2cccc(S(N)(=O)=O)c2)cc1F
InChIInChI=1S/C21H16F4N2O5S/c1-31-17-9-8-13(11-16(17)22)32-18-7-3-6-15(21(23,24)25)19(18)20(28)27-12-4-2-5-14(10-12)33(26,29)30/h2-11H,1H3,(H,27,28)(H2,26,29,30)
InChIKeyJJTBTUMVQLYDAI-UHFFFAOYSA-N
MW484.43 g/mol
LogP4.55
Rot. Bonds6

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

2-(3-fluoro-4-methoxyphenoxy)-N-(3-sulfamoylphenyl)-6-(trifluoromethyl)benzamide (PubChem CID 90466612) 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)-6-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-(3-fluoro-4-methoxyphenoxy)-N-(3-sulfamoylphenyl)-6-(trifluoromethyl)benzamide
PubChem CID90466612
Molecular FormulaC21H16F4N2O5S
Molecular Weight484.43 g/mol
Exact Mass484.07
IUPAC Name2-(3-fluoro-4-methoxyphenoxy)-N-(3-sulfamoylphenyl)-6-(trifluoromethyl)benzamide
SMILESCOc1ccc(Oc2cccc(C(F)(F)F)c2C(=O)Nc2cccc(S(N)(=O)=O)c2)cc1F
InChIInChI=1S/C21H16F4N2O5S/c1-31-17-9-8-13(11-16(17)22)32-18-7-3-6-15(21(23,24)25)19(18)20(28)27-12-4-2-5-14(10-12)33(26,29)30/h2-11H,1H3,(H,27,28)(H2,26,29,30)
InChIKeyJJTBTUMVQLYDAI-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

2-[3-fluoro-4-(hydroxymethyl)phenoxy]-N-(3-sulfamoylphenyl)-6-(trifluoromethyl)benzamide
CID 121369825
2-(3-fluoro-2-methylphenoxy)-N-(3-sulfamoylphenyl)-6-(trifluoromethyl)benzamide
CID 90466610
2-(4-fluoro-2-methoxyphenoxy)-N-(3-sulfamoylphenyl)-4-(trifluoromethyl)benzamide
CID 90467902
2,4-dichloro-6-(4-fluoro-2-methoxyphenoxy)-N-(3-sulfamoylphenyl)benzamide
CID 90467489
N-(3-fluoro-4-methoxyphenyl)-2,6-dimethoxybenzamide
CID 110776470
N-(3-carbamoylphenyl)-2-fluoro-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]-3-(trifluoromethyl)benzamide
CID 137410906
2-fluoro-N-(3-sulfamoylphenyl)-3,4-bis(trifluoromethyl)benzamide
CID 174965903
2-methoxy-N-(3-methoxyphenyl)-5-sulfamoylbenzamide
CID 27167646
4-cyano-2-(4-fluoro-2-methoxyphenoxy)-N-(3-sulfamoylphenyl)benzamide
CID 90467765
3,5-dimethoxy-4-methyl-N-(3-sulfamoylphenyl)benzamide
CID 4241240
3-(4-cyano-2-methoxyphenoxy)-N-(3-sulfamoylphenyl)-6-(trifluoromethyl)pyridazine-4-carboxamide
CID 167199380
2-(4-chloro-2-methoxyphenoxy)-4-(1,1,2,2,2-pentafluoroethyl)-N-(3-sulfamoylphenyl)benzamide
CID 90466907

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methoxyphenoxy)-N-(3-sulfamoylphenyl)-6-(trifluoromethyl)benzamide?
The IUPAC name of 2-(3-fluoro-4-methoxyphenoxy)-N-(3-sulfamoylphenyl)-6-(trifluoromethyl)benzamide (CID 90466612) is 2-(3-fluoro-4-methoxyphenoxy)-N-(3-sulfamoylphenyl)-6-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-(3-fluoro-4-methoxyphenoxy)-N-(3-sulfamoylphenyl)-6-(trifluoromethyl)benzamide?
The canonical SMILES for 2-(3-fluoro-4-methoxyphenoxy)-N-(3-sulfamoylphenyl)-6-(trifluoromethyl)benzamide is COc1ccc(Oc2cccc(C(F)(F)F)c2C(=O)Nc2cccc(S(N)(=O)=O)c2)cc1F.
What is the InChIKey of 2-(3-fluoro-4-methoxyphenoxy)-N-(3-sulfamoylphenyl)-6-(trifluoromethyl)benzamide?
The InChIKey is JJTBTUMVQLYDAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F4N2O5S/c1-31-17-9-8-13(11-16(17)22)32-18-7-3-6-15(21(23,24)25)19(18)20(28)27-12-4-2-5-14(10-12)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)-6-(trifluoromethyl)benzamide?
2-(3-fluoro-4-methoxyphenoxy)-N-(3-sulfamoylphenyl)-6-(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)-6-(trifluoromethyl)benzamide is sourced from PubChem (CID 90466612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).