2-[benzenesulfonyl(methyl)amino]-N-[2-(trifluoromethyl)phenyl]benzamide

C21H17F3N2O3S — CID 1294778

IUPAC2-[benzenesulfonyl(methyl)amino]-N-[2-(trifluoromethyl)phenyl]benzamide
SMILESCN(c1ccccc1C(=O)Nc1ccccc1C(F)(F)F)S(=O)(=O)c1ccccc1
InChIInChI=1S/C21H17F3N2O3S/c1-26(30(28,29)15-9-3-2-4-10-15)19-14-8-5-11-16(19)20(27)25-18-13-7-6-12-17(18)21(22,23)24/h2-14H,1H3,(H,25,27)
InChIKeyQEKGJMHPTZEJNO-UHFFFAOYSA-N
MW434.44 g/mol
LogP4.78
Rot. Bonds5

About 2-[benzenesulfonyl(methyl)amino]-N-[2-(trifluoromethyl)phenyl]benzamide

2-[benzenesulfonyl(methyl)amino]-N-[2-(trifluoromethyl)phenyl]benzamide (PubChem CID 1294778) has the molecular formula C21H17F3N2O3S and a molecular weight of 434.44 g/mol. Its IUPAC name is 2-[benzenesulfonyl(methyl)amino]-N-[2-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name2-[benzenesulfonyl(methyl)amino]-N-[2-(trifluoromethyl)phenyl]benzamide
PubChem CID1294778
Molecular FormulaC21H17F3N2O3S
Molecular Weight434.44 g/mol
Exact Mass434.09
IUPAC Name2-[benzenesulfonyl(methyl)amino]-N-[2-(trifluoromethyl)phenyl]benzamide
SMILESCN(c1ccccc1C(=O)Nc1ccccc1C(F)(F)F)S(=O)(=O)c1ccccc1
InChIInChI=1S/C21H17F3N2O3S/c1-26(30(28,29)15-9-3-2-4-10-15)19-14-8-5-11-16(19)20(27)25-18-13-7-6-12-17(18)21(22,23)24/h2-14H,1H3,(H,25,27)
InChIKeyQEKGJMHPTZEJNO-UHFFFAOYSA-N
XLogP4.78
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.44
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl(methylsulfonyl)amino]-N-[2-(trifluoromethyl)phenyl]benzamide
CID 27001436
2-[[2-[benzenesulfonyl(methyl)amino]benzoyl]amino]-N-[(1S)-1-phenylethyl]benzamide
CID 2207753
4-(dimethylsulfamoyl)-N-[2-(trifluoromethyl)phenyl]benzamide
CID 2474371
2-[benzenesulfonyl(methyl)amino]-N-(2-ethyl-6-methylphenyl)benzamide
CID 126335731
N-(3-acetylphenyl)-2-[benzenesulfonyl(methyl)amino]benzamide
CID 126346371
methyl 3-[[2-[benzenesulfonyl(methyl)amino]benzoyl]amino]-4-chlorobenzoate
CID 21372616
N-[2-(trifluoromethyl)phenyl]naphthalene-1-carboxamide
CID 1278699
methyl 2-[[2-(trifluoromethyl)phenyl]carbamoyl]benzoate
CID 108785392
2-bromo-3-methyl-N-[2-(trifluoromethyl)phenyl]benzamide
CID 103857081
4-[dimethylsulfamoyl(methyl)amino]-N-[2-(trifluoromethyl)phenyl]benzamide
CID 92664146
2-[[4-[benzenesulfonyl(methyl)amino]benzoyl]amino]benzoic acid
CID 1339367
2-[benzenesulfonyl(methyl)amino]-N-(4-bromo-3-chlorophenyl)benzamide
CID 126272189

Frequently Asked Questions

What is the IUPAC name of 2-[benzenesulfonyl(methyl)amino]-N-[2-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 2-[benzenesulfonyl(methyl)amino]-N-[2-(trifluoromethyl)phenyl]benzamide (CID 1294778) is 2-[benzenesulfonyl(methyl)amino]-N-[2-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 2-[benzenesulfonyl(methyl)amino]-N-[2-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 2-[benzenesulfonyl(methyl)amino]-N-[2-(trifluoromethyl)phenyl]benzamide is CN(c1ccccc1C(=O)Nc1ccccc1C(F)(F)F)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[benzenesulfonyl(methyl)amino]-N-[2-(trifluoromethyl)phenyl]benzamide?
The InChIKey is QEKGJMHPTZEJNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N2O3S/c1-26(30(28,29)15-9-3-2-4-10-15)19-14-8-5-11-16(19)20(27)25-18-13-7-6-12-17(18)21(22,23)24/h2-14H,1H3,(H,25,27).
What are the key properties of 2-[benzenesulfonyl(methyl)amino]-N-[2-(trifluoromethyl)phenyl]benzamide?
2-[benzenesulfonyl(methyl)amino]-N-[2-(trifluoromethyl)phenyl]benzamide has a molecular weight of 434.44 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzenesulfonyl(methyl)amino]-N-[2-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 1294778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).