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

C18H19F3N2O4S — CID 31324731

IUPACN-(2-methylpropyl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]benzamide
SMILESCC(C)CNC(=O)c1ccccc1NS(=O)(=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C18H19F3N2O4S/c1-12(2)11-22-17(24)15-5-3-4-6-16(15)23-28(25,26)14-9-7-13(8-10-14)27-18(19,20)21/h3-10,12,23H,11H2,1-2H3,(H,22,24)
InChIKeyOJAYKHHUODIYAW-UHFFFAOYSA-N
MW416.42 g/mol
LogP3.77
Rot. Bonds7

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

N-(2-methylpropyl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]benzamide (PubChem CID 31324731) has the molecular formula C18H19F3N2O4S and a molecular weight of 416.42 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]benzamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]benzamide
PubChem CID31324731
Molecular FormulaC18H19F3N2O4S
Molecular Weight416.42 g/mol
Exact Mass416.10
IUPAC NameN-(2-methylpropyl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]benzamide
SMILESCC(C)CNC(=O)c1ccccc1NS(=O)(=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C18H19F3N2O4S/c1-12(2)11-22-17(24)15-5-3-4-6-16(15)23-28(25,26)14-9-7-13(8-10-14)27-18(19,20)21/h3-10,12,23H,11H2,1-2H3,(H,22,24)
InChIKeyOJAYKHHUODIYAW-UHFFFAOYSA-N
XLogP3.77
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.42
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]benzamide
CID 17154391
2-[(4-acetylphenyl)sulfonylamino]-N-(2-methylpropyl)benzamide
CID 18082666
S-[2-oxo-2-[2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]ethyl] ethanethioate
CID 11697747
2-[(3-acetamido-4-methoxyphenyl)sulfonylamino]-N-(2-methylpropyl)benzamide
CID 31324729
2-(ethylsulfonylamino)-N-(2-methylpropyl)benzamide
CID 47111066
2-[(4-ethoxyphenyl)sulfonylamino]-N-propan-2-ylbenzamide
CID 1006691
N-(2-methylpropyl)-2-(propylsulfonylamino)benzamide
CID 47104367
N-(2-iodophenyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 26952500
4-(trifluoromethoxy)-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3813923
N-(2-methoxyethyl)-2-[(4-propan-2-ylphenyl)sulfonylamino]benzamide
CID 31754216
N-(2-methylpropyl)-2-[(2,2,2-trifluoroacetyl)amino]benzamide
CID 63374842
4-[(2-methylphenyl)sulfamoyl]-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 26643217

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]benzamide?
The IUPAC name of N-(2-methylpropyl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]benzamide (CID 31324731) is N-(2-methylpropyl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]benzamide.
What is the SMILES notation for N-(2-methylpropyl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]benzamide?
The canonical SMILES for N-(2-methylpropyl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]benzamide is CC(C)CNC(=O)c1ccccc1NS(=O)(=O)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-(2-methylpropyl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]benzamide?
The InChIKey is OJAYKHHUODIYAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O4S/c1-12(2)11-22-17(24)15-5-3-4-6-16(15)23-28(25,26)14-9-7-13(8-10-14)27-18(19,20)21/h3-10,12,23H,11H2,1-2H3,(H,22,24).
What are the key properties of N-(2-methylpropyl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]benzamide?
N-(2-methylpropyl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]benzamide has a molecular weight of 416.42 g/mol, XLogP of 3.77, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]benzamide is sourced from PubChem (CID 31324731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).