4-[[4-methyl-3-(trifluoromethyl)phenyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide

C17H14F6N2O3S — CID 52544449

IUPAC4-[[4-methyl-3-(trifluoromethyl)phenyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(C(=O)NCC(F)(F)F)cc2)cc1C(F)(F)F
InChIInChI=1S/C17H14F6N2O3S/c1-10-2-5-12(8-14(10)17(21,22)23)25-29(27,28)13-6-3-11(4-7-13)15(26)24-9-16(18,19)20/h2-8,25H,9H2,1H3,(H,24,26)
InChIKeyWJMMXDQUUQJNEA-UHFFFAOYSA-N
MW440.37 g/mol
LogP4.11
Rot. Bonds5

About 4-[[4-methyl-3-(trifluoromethyl)phenyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide

4-[[4-methyl-3-(trifluoromethyl)phenyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 52544449) has the molecular formula C17H14F6N2O3S and a molecular weight of 440.37 g/mol. Its IUPAC name is 4-[[4-methyl-3-(trifluoromethyl)phenyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name4-[[4-methyl-3-(trifluoromethyl)phenyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID52544449
Molecular FormulaC17H14F6N2O3S
Molecular Weight440.37 g/mol
Exact Mass440.06
IUPAC Name4-[[4-methyl-3-(trifluoromethyl)phenyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(C(=O)NCC(F)(F)F)cc2)cc1C(F)(F)F
InChIInChI=1S/C17H14F6N2O3S/c1-10-2-5-12(8-14(10)17(21,22)23)25-29(27,28)13-6-3-11(4-7-13)15(26)24-9-16(18,19)20/h2-8,25H,9H2,1H3,(H,24,26)
InChIKeyWJMMXDQUUQJNEA-UHFFFAOYSA-N
XLogP4.11
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.37
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-bromo-3-methylphenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 31579016
4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(2,2,2-trifluoroethyl)benzamide
CID 37064256
N-(2-amino-2-oxoethyl)-3-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]sulfonylamino]benzamide
CID 55663136
4-N,4-N-dimethyl-1-N-[4-methyl-3-(trifluoromethyl)phenyl]benzene-1,4-disulfonamide
CID 24580780
3-[[4-(propan-2-ylsulfamoyl)phenyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 55879590
4-acetyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3694127
N-propyl-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 26823127
4-[(2-fluorophenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 37064232
4-acetyl-N-[4-chloro-3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3712416
4-[(4-bromo-2-fluorophenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 31579011
4-[(3,4-dimethylphenyl)sulfonylamino]-N-ethylbenzamide
CID 51163080
4-(cyanomethylsulfamoyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 9452221

Frequently Asked Questions

What is the IUPAC name of 4-[[4-methyl-3-(trifluoromethyl)phenyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 4-[[4-methyl-3-(trifluoromethyl)phenyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide (CID 52544449) is 4-[[4-methyl-3-(trifluoromethyl)phenyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 4-[[4-methyl-3-(trifluoromethyl)phenyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 4-[[4-methyl-3-(trifluoromethyl)phenyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide is Cc1ccc(NS(=O)(=O)c2ccc(C(=O)NCC(F)(F)F)cc2)cc1C(F)(F)F.
What is the InChIKey of 4-[[4-methyl-3-(trifluoromethyl)phenyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is WJMMXDQUUQJNEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F6N2O3S/c1-10-2-5-12(8-14(10)17(21,22)23)25-29(27,28)13-6-3-11(4-7-13)15(26)24-9-16(18,19)20/h2-8,25H,9H2,1H3,(H,24,26).
What are the key properties of 4-[[4-methyl-3-(trifluoromethyl)phenyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide?
4-[[4-methyl-3-(trifluoromethyl)phenyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 440.37 g/mol, XLogP of 4.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-methyl-3-(trifluoromethyl)phenyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 52544449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).