N-(2,4-dimethoxyphenyl)-3-(2,2,2-trifluoroethylsulfamoyl)benzamide

C17H17F3N2O5S — CID 24536388

IUPACN-(2,4-dimethoxyphenyl)-3-(2,2,2-trifluoroethylsulfamoyl)benzamide
SMILESCOc1ccc(NC(=O)c2cccc(S(=O)(=O)NCC(F)(F)F)c2)c(OC)c1
InChIInChI=1S/C17H17F3N2O5S/c1-26-12-6-7-14(15(9-12)27-2)22-16(23)11-4-3-5-13(8-11)28(24,25)21-10-17(18,19)20/h3-9,21H,10H2,1-2H3,(H,22,23)
InChIKeyYIEGAKBXWRVJQH-UHFFFAOYSA-N
MW418.39 g/mol
LogP2.80
Rot. Bonds7

About N-(2,4-dimethoxyphenyl)-3-(2,2,2-trifluoroethylsulfamoyl)benzamide

N-(2,4-dimethoxyphenyl)-3-(2,2,2-trifluoroethylsulfamoyl)benzamide (PubChem CID 24536388) has the molecular formula C17H17F3N2O5S and a molecular weight of 418.39 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-3-(2,2,2-trifluoroethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-3-(2,2,2-trifluoroethylsulfamoyl)benzamide
PubChem CID24536388
Molecular FormulaC17H17F3N2O5S
Molecular Weight418.39 g/mol
Exact Mass418.08
IUPAC NameN-(2,4-dimethoxyphenyl)-3-(2,2,2-trifluoroethylsulfamoyl)benzamide
SMILESCOc1ccc(NC(=O)c2cccc(S(=O)(=O)NCC(F)(F)F)c2)c(OC)c1
InChIInChI=1S/C17H17F3N2O5S/c1-26-12-6-7-14(15(9-12)27-2)22-16(23)11-4-3-5-13(8-11)28(24,25)21-10-17(18,19)20/h3-9,21H,10H2,1-2H3,(H,22,23)
InChIKeyYIEGAKBXWRVJQH-UHFFFAOYSA-N
XLogP2.80
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.39
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,4-dimethoxyphenyl)-3-(2-methoxyethylsulfamoyl)benzamide
CID 109063596
3-methoxy-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]benzamide
CID 9474698
3-(ethylsulfamoyl)-N-(4-fluoro-2-methoxyphenyl)benzamide
CID 33069732
3-[(2,5-dimethoxyphenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 55878516
N-(3,4-dimethylphenyl)-3-(2,2,2-trifluoroethylsulfamoyl)benzamide
CID 17450702
N-(2,4-dimethoxyphenyl)-3-(methoxymethyl)benzamide
CID 7603182
N-(2,4-dimethoxyphenyl)-3-[methyl(phenyl)sulfamoyl]benzamide
CID 2709362
N-(2,4-dimethoxyphenyl)-3-methylbenzamide
CID 710450
N-(2,4-dimethoxyphenyl)-3-hydroxybenzamide
CID 19256865
N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3-(2,2,2-trifluoroethylsulfamoyl)benzamide
CID 30860581
N-(2-methoxyphenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 26538254
3-N-tert-butyl-1-N-(2,4-dimethoxyphenyl)benzene-1,3-dicarboxamide
CID 109056037

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-3-(2,2,2-trifluoroethylsulfamoyl)benzamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-3-(2,2,2-trifluoroethylsulfamoyl)benzamide (CID 24536388) is N-(2,4-dimethoxyphenyl)-3-(2,2,2-trifluoroethylsulfamoyl)benzamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-3-(2,2,2-trifluoroethylsulfamoyl)benzamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-3-(2,2,2-trifluoroethylsulfamoyl)benzamide is COc1ccc(NC(=O)c2cccc(S(=O)(=O)NCC(F)(F)F)c2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-3-(2,2,2-trifluoroethylsulfamoyl)benzamide?
The InChIKey is YIEGAKBXWRVJQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O5S/c1-26-12-6-7-14(15(9-12)27-2)22-16(23)11-4-3-5-13(8-11)28(24,25)21-10-17(18,19)20/h3-9,21H,10H2,1-2H3,(H,22,23).
What are the key properties of N-(2,4-dimethoxyphenyl)-3-(2,2,2-trifluoroethylsulfamoyl)benzamide?
N-(2,4-dimethoxyphenyl)-3-(2,2,2-trifluoroethylsulfamoyl)benzamide has a molecular weight of 418.39 g/mol, XLogP of 2.80, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-3-(2,2,2-trifluoroethylsulfamoyl)benzamide is sourced from PubChem (CID 24536388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).