N-[(2S)-1-aminopropan-2-yl]-2-(trifluoromethoxy)benzenesulfonamide

C10H13F3N2O3S — CID 98539299

IUPACN-[(2S)-1-aminopropan-2-yl]-2-(trifluoromethoxy)benzenesulfonamide
SMILESC[C@@H](CN)NS(=O)(=O)c1ccccc1OC(F)(F)F
InChIInChI=1S/C10H13F3N2O3S/c1-7(6-14)15-19(16,17)9-5-3-2-4-8(9)18-10(11,12)13/h2-5,7,15H,6,14H2,1H3/t7-/m0/s1
InChIKeyOQLDEZNFTBYIPI-ZETCQYMHSA-N
MW298.29 g/mol
LogP1.21
Rot. Bonds5

About N-[(2S)-1-aminopropan-2-yl]-2-(trifluoromethoxy)benzenesulfonamide

N-[(2S)-1-aminopropan-2-yl]-2-(trifluoromethoxy)benzenesulfonamide (PubChem CID 98539299) has the molecular formula C10H13F3N2O3S and a molecular weight of 298.29 g/mol. Its IUPAC name is N-[(2S)-1-aminopropan-2-yl]-2-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-[(2S)-1-aminopropan-2-yl]-2-(trifluoromethoxy)benzenesulfonamide
PubChem CID98539299
Molecular FormulaC10H13F3N2O3S
Molecular Weight298.29 g/mol
Exact Mass298.06
IUPAC NameN-[(2S)-1-aminopropan-2-yl]-2-(trifluoromethoxy)benzenesulfonamide
SMILESC[C@@H](CN)NS(=O)(=O)c1ccccc1OC(F)(F)F
InChIInChI=1S/C10H13F3N2O3S/c1-7(6-14)15-19(16,17)9-5-3-2-4-8(9)18-10(11,12)13/h2-5,7,15H,6,14H2,1H3/t7-/m0/s1
InChIKeyOQLDEZNFTBYIPI-ZETCQYMHSA-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-(1-amino-4-methylpentan-2-yl)-2-(trifluoromethoxy)benzenesulfonamide;hydrochloride
CID 119983378
N-[(2R)-1-aminopropan-2-yl]-2-methoxybenzenesulfonamide
CID 104873312
N-(2-aminopropyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 63731279
N-(2-methylpropyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 31065703
N-[1-(1H-indol-3-yl)propan-2-yl]-2-(trifluoromethoxy)benzenesulfonamide
CID 3587295
N-(1-amino-2,4-dimethylpentan-2-yl)-2-(trifluoromethoxy)benzenesulfonamide;hydrochloride
CID 119985312
ethyl 2-phenyl-2-[[2-(trifluoromethoxy)phenyl]sulfonylamino]acetate
CID 3840083
N-[(2R)-1-aminopropan-2-yl]-4-(trifluoromethoxy)benzenesulfonamide
CID 104873326
3-hydroxy-2-[[2-(trifluoromethoxy)phenyl]sulfonylamino]propanoic acid
CID 43242373
(2R)-3-hydroxy-2-[[2-(trifluoromethoxy)phenyl]sulfonylamino]propanoic acid
CID 80755925
N-methoxy-2-(trifluoromethoxy)benzenesulfonamide
CID 60713586
N-[(2R)-1-aminopropan-2-yl]-2-chlorobenzenesulfonamide
CID 104873370

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-aminopropan-2-yl]-2-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-[(2S)-1-aminopropan-2-yl]-2-(trifluoromethoxy)benzenesulfonamide (CID 98539299) is N-[(2S)-1-aminopropan-2-yl]-2-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-[(2S)-1-aminopropan-2-yl]-2-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-[(2S)-1-aminopropan-2-yl]-2-(trifluoromethoxy)benzenesulfonamide is C[C@@H](CN)NS(=O)(=O)c1ccccc1OC(F)(F)F.
What is the InChIKey of N-[(2S)-1-aminopropan-2-yl]-2-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is OQLDEZNFTBYIPI-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H13F3N2O3S/c1-7(6-14)15-19(16,17)9-5-3-2-4-8(9)18-10(11,12)13/h2-5,7,15H,6,14H2,1H3/t7-/m0/s1.
What are the key properties of N-[(2S)-1-aminopropan-2-yl]-2-(trifluoromethoxy)benzenesulfonamide?
N-[(2S)-1-aminopropan-2-yl]-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-[(2S)-1-aminopropan-2-yl]-2-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 98539299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).