N-(2-aminopropyl)-2-(trifluoromethoxy)benzenesulfonamide

C10H13F3N2O3S — CID 63731279

IUPACN-(2-aminopropyl)-2-(trifluoromethoxy)benzenesulfonamide
SMILESCC(N)CNS(=O)(=O)c1ccccc1OC(F)(F)F
InChIInChI=1S/C10H13F3N2O3S/c1-7(14)6-15-19(16,17)9-5-3-2-4-8(9)18-10(11,12)13/h2-5,7,15H,6,14H2,1H3
InChIKeyFZCCWDGDKJEMNE-UHFFFAOYSA-N
MW298.29 g/mol
LogP1.21
Rot. Bonds5

About N-(2-aminopropyl)-2-(trifluoromethoxy)benzenesulfonamide

N-(2-aminopropyl)-2-(trifluoromethoxy)benzenesulfonamide (PubChem CID 63731279) has the molecular formula C10H13F3N2O3S and a molecular weight of 298.29 g/mol. Its IUPAC name is N-(2-aminopropyl)-2-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-aminopropyl)-2-(trifluoromethoxy)benzenesulfonamide
PubChem CID63731279
Molecular FormulaC10H13F3N2O3S
Molecular Weight298.29 g/mol
Exact Mass298.06
IUPAC NameN-(2-aminopropyl)-2-(trifluoromethoxy)benzenesulfonamide
SMILESCC(N)CNS(=O)(=O)c1ccccc1OC(F)(F)F
InChIInChI=1S/C10H13F3N2O3S/c1-7(14)6-15-19(16,17)9-5-3-2-4-8(9)18-10(11,12)13/h2-5,7,15H,6,14H2,1H3
InChIKeyFZCCWDGDKJEMNE-UHFFFAOYSA-N
XLogP1.21
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.29
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylpropyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 31065703
N-(2-hydroxyethyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 43502048
N-[(2S)-1-aminopropan-2-yl]-2-(trifluoromethoxy)benzenesulfonamide
CID 98539299
propan-2-yl 2-[[2-(trifluoromethoxy)phenyl]sulfonylamino]acetate
CID 3689825
N-[2-(dimethylamino)-3-phenylpropyl]-2-(trifluoromethoxy)benzenesulfonamide
CID 55511769
N-methoxy-2-(trifluoromethoxy)benzenesulfonamide
CID 60713586
N-[3-(methylamino)propyl]-2-(trifluoromethoxy)benzenesulfonamide
CID 43605972
N-[(2S)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-2-(trifluoromethoxy)benzenesulfonamide
CID 99979776
N-(1-amino-4-methylpentan-2-yl)-2-(trifluoromethoxy)benzenesulfonamide;hydrochloride
CID 119983378
N-[(2S)-2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-2-(trifluoromethoxy)benzenesulfonamide
CID 100729826
4-[[2-(trifluoromethoxy)phenyl]sulfonylamino]butanoic acid
CID 43242362
N-(1-amino-2,4-dimethylpentan-2-yl)-2-(trifluoromethoxy)benzenesulfonamide;hydrochloride
CID 119985312

Frequently Asked Questions

What is the IUPAC name of N-(2-aminopropyl)-2-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-(2-aminopropyl)-2-(trifluoromethoxy)benzenesulfonamide (CID 63731279) is N-(2-aminopropyl)-2-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-(2-aminopropyl)-2-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-(2-aminopropyl)-2-(trifluoromethoxy)benzenesulfonamide is CC(N)CNS(=O)(=O)c1ccccc1OC(F)(F)F.
What is the InChIKey of N-(2-aminopropyl)-2-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is FZCCWDGDKJEMNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O3S/c1-7(14)6-15-19(16,17)9-5-3-2-4-8(9)18-10(11,12)13/h2-5,7,15H,6,14H2,1H3.
What are the key properties of N-(2-aminopropyl)-2-(trifluoromethoxy)benzenesulfonamide?
N-(2-aminopropyl)-2-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 298.29 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminopropyl)-2-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 63731279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).