N-tert-butyl-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]benzamide

C18H19F3N2O4S — CID 17154391

IUPACN-tert-butyl-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]benzamide
SMILESCC(C)(C)NC(=O)c1ccccc1NS(=O)(=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C18H19F3N2O4S/c1-17(2,3)22-16(24)14-6-4-5-7-15(14)23-28(25,26)13-10-8-12(9-11-13)27-18(19,20)21/h4-11,23H,1-3H3,(H,22,24)
InChIKeyMAGIPCANBLRFLM-UHFFFAOYSA-N
MW416.42 g/mol
LogP3.91
Rot. Bonds5

About N-tert-butyl-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]benzamide

N-tert-butyl-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]benzamide (PubChem CID 17154391) has the molecular formula C18H19F3N2O4S and a molecular weight of 416.42 g/mol. Its IUPAC name is N-tert-butyl-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]benzamide.

Molecular Properties

Compound NameN-tert-butyl-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]benzamide
PubChem CID17154391
Molecular FormulaC18H19F3N2O4S
Molecular Weight416.42 g/mol
Exact Mass416.10
IUPAC NameN-tert-butyl-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]benzamide
SMILESCC(C)(C)NC(=O)c1ccccc1NS(=O)(=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C18H19F3N2O4S/c1-17(2,3)22-16(24)14-6-4-5-7-15(14)23-28(25,26)13-10-8-12(9-11-13)27-18(19,20)21/h4-11,23H,1-3H3,(H,22,24)
InChIKeyMAGIPCANBLRFLM-UHFFFAOYSA-N
XLogP3.91
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.42
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-tert-butyl-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-methylpropyl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]benzamide
CID 31324731
S-[2-oxo-2-[2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]ethyl] ethanethioate
CID 11697747
4-[(2-methylphenyl)sulfamoyl]-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 26643217
N-(2-iodophenyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 26952500
4-(trifluoromethoxy)-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3813923
N-tert-butyl-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzamide
CID 17200397
4-methyl-N-[2-(2,2,2-trifluoroacetyl)-4-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 169373254
N-(3,5-dimethylphenyl)-2-[[3-(trifluoromethoxy)phenyl]sulfonylamino]benzamide
CID 46102118
2-(benzenesulfonamido)-4-(trifluoromethoxy)benzoic acid
CID 68866362
N-tert-butyl-5-methyl-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 102223921
2-fluoro-N'-[4-(trifluoromethoxy)phenyl]sulfonylbenzohydrazide
CID 8523928
N-(3-chloro-4-hydroxynaphthalen-1-yl)-4-(trifluoromethoxy)benzenesulfonamide
CID 58565471

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]benzamide?
The IUPAC name of N-tert-butyl-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]benzamide (CID 17154391) is N-tert-butyl-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]benzamide.
What is the SMILES notation for N-tert-butyl-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]benzamide?
The canonical SMILES for N-tert-butyl-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]benzamide is CC(C)(C)NC(=O)c1ccccc1NS(=O)(=O)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-tert-butyl-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]benzamide?
The InChIKey is MAGIPCANBLRFLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O4S/c1-17(2,3)22-16(24)14-6-4-5-7-15(14)23-28(25,26)13-10-8-12(9-11-13)27-18(19,20)21/h4-11,23H,1-3H3,(H,22,24).
What are the key properties of N-tert-butyl-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]benzamide?
N-tert-butyl-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]benzamide has a molecular weight of 416.42 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]benzamide is sourced from PubChem (CID 17154391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).