2-(3-fluoro-2-methylphenoxy)-N-(3-sulfamoylphenyl)-6-(trifluoromethyl)benzamide

C21H16F4N2O4S — CID 90466610

IUPAC2-(3-fluoro-2-methylphenoxy)-N-(3-sulfamoylphenyl)-6-(trifluoromethyl)benzamide
SMILESCc1c(F)cccc1Oc1cccc(C(F)(F)F)c1C(=O)Nc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C21H16F4N2O4S/c1-12-16(22)8-4-9-17(12)31-18-10-3-7-15(21(23,24)25)19(18)20(28)27-13-5-2-6-14(11-13)32(26,29)30/h2-11H,1H3,(H,27,28)(H2,26,29,30)
InChIKeyGWVLZDHEZXYWQV-UHFFFAOYSA-N
MW468.43 g/mol
LogP4.84
Rot. Bonds5

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

2-(3-fluoro-2-methylphenoxy)-N-(3-sulfamoylphenyl)-6-(trifluoromethyl)benzamide (PubChem CID 90466610) has the molecular formula C21H16F4N2O4S and a molecular weight of 468.43 g/mol. Its IUPAC name is 2-(3-fluoro-2-methylphenoxy)-N-(3-sulfamoylphenyl)-6-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-(3-fluoro-2-methylphenoxy)-N-(3-sulfamoylphenyl)-6-(trifluoromethyl)benzamide
PubChem CID90466610
Molecular FormulaC21H16F4N2O4S
Molecular Weight468.43 g/mol
Exact Mass468.08
IUPAC Name2-(3-fluoro-2-methylphenoxy)-N-(3-sulfamoylphenyl)-6-(trifluoromethyl)benzamide
SMILESCc1c(F)cccc1Oc1cccc(C(F)(F)F)c1C(=O)Nc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C21H16F4N2O4S/c1-12-16(22)8-4-9-17(12)31-18-10-3-7-15(21(23,24)25)19(18)20(28)27-13-5-2-6-14(11-13)32(26,29)30/h2-11H,1H3,(H,27,28)(H2,26,29,30)
InChIKeyGWVLZDHEZXYWQV-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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Related Compounds

2-(3-fluoro-4-methoxyphenoxy)-N-(3-sulfamoylphenyl)-6-(trifluoromethyl)benzamide
CID 90466612
2-[3-fluoro-4-(hydroxymethyl)phenoxy]-N-(3-sulfamoylphenyl)-6-(trifluoromethyl)benzamide
CID 121369825
2-fluoro-N-(3-sulfamoylphenyl)-3,4-bis(trifluoromethyl)benzamide
CID 174965903
3,5-dimethoxy-4-methyl-N-(3-sulfamoylphenyl)benzamide
CID 4241240
3-(2,3-difluorophenoxy)-5-methyl-N-[3-(methylsulfonimidoyl)phenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide
CID 167198078
3-(4-fluoro-2-hydroxyphenoxy)-N-(3-sulfamoylphenyl)-6-(trifluoromethyl)pyridazine-4-carboxamide
CID 167198832
2-(4-fluoro-2-methoxyphenoxy)-N-(3-sulfamoylphenyl)-4-(trifluoromethyl)benzamide
CID 90467902
2-fluoro-6-[(6-fluoro-2-methyl-3-pyridinyl)oxy]-N-[3-(methylsulfonimidoyl)phenyl]-3-(trifluoromethyl)benzamide
CID 171072150
3-(2-chloro-3-fluorophenoxy)-N-(3-sulfamoylphenyl)quinoxaline-2-carboxamide
CID 172716708
2,4-dichloro-6-(4-fluoro-2-methoxyphenoxy)-N-(3-sulfamoylphenyl)benzamide
CID 90467489
3-(3,5-difluoro-2-methylphenoxy)-5-methyl-N-[3-(methylsulfonimidoyl)phenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide
CID 167198573
2-fluoro-6-(8-fluoro-3,4-dihydro-1H-isochromen-4-yl)-4-methoxy-N-(3-sulfamoylphenyl)-3-(trifluoromethyl)benzamide
CID 175481703

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-2-methylphenoxy)-N-(3-sulfamoylphenyl)-6-(trifluoromethyl)benzamide?
The IUPAC name of 2-(3-fluoro-2-methylphenoxy)-N-(3-sulfamoylphenyl)-6-(trifluoromethyl)benzamide (CID 90466610) is 2-(3-fluoro-2-methylphenoxy)-N-(3-sulfamoylphenyl)-6-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-(3-fluoro-2-methylphenoxy)-N-(3-sulfamoylphenyl)-6-(trifluoromethyl)benzamide?
The canonical SMILES for 2-(3-fluoro-2-methylphenoxy)-N-(3-sulfamoylphenyl)-6-(trifluoromethyl)benzamide is Cc1c(F)cccc1Oc1cccc(C(F)(F)F)c1C(=O)Nc1cccc(S(N)(=O)=O)c1.
What is the InChIKey of 2-(3-fluoro-2-methylphenoxy)-N-(3-sulfamoylphenyl)-6-(trifluoromethyl)benzamide?
The InChIKey is GWVLZDHEZXYWQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F4N2O4S/c1-12-16(22)8-4-9-17(12)31-18-10-3-7-15(21(23,24)25)19(18)20(28)27-13-5-2-6-14(11-13)32(26,29)30/h2-11H,1H3,(H,27,28)(H2,26,29,30).
What are the key properties of 2-(3-fluoro-2-methylphenoxy)-N-(3-sulfamoylphenyl)-6-(trifluoromethyl)benzamide?
2-(3-fluoro-2-methylphenoxy)-N-(3-sulfamoylphenyl)-6-(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-(3-fluoro-2-methylphenoxy)-N-(3-sulfamoylphenyl)-6-(trifluoromethyl)benzamide is sourced from PubChem (CID 90466610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).