N-(2-cyanopropan-2-yl)-2-(trifluoromethyl)benzenesulfonamide

C11H11F3N2O2S — CID 61126492

IUPACN-(2-cyanopropan-2-yl)-2-(trifluoromethyl)benzenesulfonamide
SMILESCC(C)(C#N)NS(=O)(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C11H11F3N2O2S/c1-10(2,7-15)16-19(17,18)9-6-4-3-5-8(9)11(12,13)14/h3-6,16H,1-2H3
InChIKeyFVGODIZFKWNLOV-UHFFFAOYSA-N
MW292.28 g/mol
LogP2.29
Rot. Bonds3

About N-(2-cyanopropan-2-yl)-2-(trifluoromethyl)benzenesulfonamide

N-(2-cyanopropan-2-yl)-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 61126492) has the molecular formula C11H11F3N2O2S and a molecular weight of 292.28 g/mol. Its IUPAC name is N-(2-cyanopropan-2-yl)-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-cyanopropan-2-yl)-2-(trifluoromethyl)benzenesulfonamide
PubChem CID61126492
Molecular FormulaC11H11F3N2O2S
Molecular Weight292.28 g/mol
Exact Mass292.05
IUPAC NameN-(2-cyanopropan-2-yl)-2-(trifluoromethyl)benzenesulfonamide
SMILESCC(C)(C#N)NS(=O)(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C11H11F3N2O2S/c1-10(2,7-15)16-19(17,18)9-6-4-3-5-8(9)11(12,13)14/h3-6,16H,1-2H3
InChIKeyFVGODIZFKWNLOV-UHFFFAOYSA-N
XLogP2.29
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.28
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-bromo-2-methylpropan-2-yl)-2-(trifluoromethyl)benzenesulfonamide
CID 113271978
N-(2-cyanopropan-2-yl)-2-nitrobenzenesulfonamide
CID 61127909
N-ethyl-2-(trifluoromethyl)benzenesulfonamide
CID 43212836
3-hydroxy-2-methyl-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]butanoic acid
CID 167825235
N-(2-cyano-5-methylphenyl)-2-(trifluoromethyl)benzenesulfonamide
CID 125467584
N-(1-amino-2,4-dimethylpentan-2-yl)-2-(trifluoromethyl)benzenesulfonamide
CID 119985196
N-benzhydryl-2-(trifluoromethyl)benzenesulfonamide
CID 2568637
2-(trifluoromethyl)-N-[4-[[2-(trifluoromethyl)phenyl]sulfonylamino]naphthalen-1-yl]benzenesulfonamide
CID 172801513
N-(2-cyanopropan-2-yl)-5-fluoro-2-methylbenzenesulfonamide
CID 61127713
(2S)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanoate
CID 6922915
N-[4-(2-adamantyl)-2-methyl-3-oxobutan-2-yl]-2-(trifluoromethyl)benzenesulfonamide
CID 148654526
N-(2-cyanopropan-2-yl)-3-fluoropyridine-2-sulfonamide
CID 103300602

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropan-2-yl)-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(2-cyanopropan-2-yl)-2-(trifluoromethyl)benzenesulfonamide (CID 61126492) is N-(2-cyanopropan-2-yl)-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(2-cyanopropan-2-yl)-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(2-cyanopropan-2-yl)-2-(trifluoromethyl)benzenesulfonamide is CC(C)(C#N)NS(=O)(=O)c1ccccc1C(F)(F)F.
What is the InChIKey of N-(2-cyanopropan-2-yl)-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is FVGODIZFKWNLOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O2S/c1-10(2,7-15)16-19(17,18)9-6-4-3-5-8(9)11(12,13)14/h3-6,16H,1-2H3.
What are the key properties of N-(2-cyanopropan-2-yl)-2-(trifluoromethyl)benzenesulfonamide?
N-(2-cyanopropan-2-yl)-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 292.28 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropan-2-yl)-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 61126492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).