2-[[4-(dimethylsulfamoyl)benzoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide

C18H18F3N3O4S — CID 17426970

IUPAC2-[[4-(dimethylsulfamoyl)benzoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccccc2C(=O)NCC(F)(F)F)cc1
InChIInChI=1S/C18H18F3N3O4S/c1-24(2)29(27,28)13-9-7-12(8-10-13)16(25)23-15-6-4-3-5-14(15)17(26)22-11-18(19,20)21/h3-10H,11H2,1-2H3,(H,22,26)(H,23,25)
InChIKeyMLFNZSKODCGILU-UHFFFAOYSA-N
MW429.42 g/mol
LogP2.48
Rot. Bonds6

About 2-[[4-(dimethylsulfamoyl)benzoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide

2-[[4-(dimethylsulfamoyl)benzoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 17426970) has the molecular formula C18H18F3N3O4S and a molecular weight of 429.42 g/mol. Its IUPAC name is 2-[[4-(dimethylsulfamoyl)benzoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name2-[[4-(dimethylsulfamoyl)benzoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID17426970
Molecular FormulaC18H18F3N3O4S
Molecular Weight429.42 g/mol
Exact Mass429.10
IUPAC Name2-[[4-(dimethylsulfamoyl)benzoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccccc2C(=O)NCC(F)(F)F)cc1
InChIInChI=1S/C18H18F3N3O4S/c1-24(2)29(27,28)13-9-7-12(8-10-13)16(25)23-15-6-4-3-5-14(15)17(26)22-11-18(19,20)21/h3-10H,11H2,1-2H3,(H,22,26)(H,23,25)
InChIKeyMLFNZSKODCGILU-UHFFFAOYSA-N
XLogP2.48
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.42
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[4-(propan-2-ylsulfamoyl)benzoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 55492050
4-(dimethylsulfamoyl)-N-[2-(trifluoromethyl)phenyl]benzamide
CID 2474371
2-[[4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 46543355
2-[[3-(dimethylamino)benzoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 35966446
2-[[4-(2,2,2-trifluoroethoxymethyl)benzoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 46451358
N-(3-chlorophenyl)-2-[[4-(dimethylsulfamoyl)benzoyl]amino]benzamide
CID 2117030
6-chloro-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 36661694
2-[[4-[methyl(phenyl)sulfamoyl]benzoyl]amino]-N-prop-2-enylbenzamide
CID 55413423
N-benzyl-2-[[3-(dimethylsulfamoyl)benzoyl]amino]benzamide
CID 100624742
4-(diethylsulfamoyl)-1-methyl-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyrrole-2-carboxamide
CID 34144529
2-[[4-[benzenesulfonyl(methyl)amino]benzoyl]amino]-N-(2-methylpropyl)benzamide
CID 1317789
4-(benzamidocarbamoyl)-N,N-dimethylbenzenesulfonamide
CID 3304166

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(dimethylsulfamoyl)benzoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 2-[[4-(dimethylsulfamoyl)benzoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide (CID 17426970) is 2-[[4-(dimethylsulfamoyl)benzoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 2-[[4-(dimethylsulfamoyl)benzoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 2-[[4-(dimethylsulfamoyl)benzoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide is CN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccccc2C(=O)NCC(F)(F)F)cc1.
What is the InChIKey of 2-[[4-(dimethylsulfamoyl)benzoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is MLFNZSKODCGILU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N3O4S/c1-24(2)29(27,28)13-9-7-12(8-10-13)16(25)23-15-6-4-3-5-14(15)17(26)22-11-18(19,20)21/h3-10H,11H2,1-2H3,(H,22,26)(H,23,25).
What are the key properties of 2-[[4-(dimethylsulfamoyl)benzoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide?
2-[[4-(dimethylsulfamoyl)benzoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 429.42 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(dimethylsulfamoyl)benzoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 17426970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).