N-[(2R)-1-aminopropan-2-yl]-4-(trifluoromethoxy)benzenesulfonamide

C10H13F3N2O3S — CID 104873326

IUPACN-[(2R)-1-aminopropan-2-yl]-4-(trifluoromethoxy)benzenesulfonamide
SMILESC[C@H](CN)NS(=O)(=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C10H13F3N2O3S/c1-7(6-14)15-19(16,17)9-4-2-8(3-5-9)18-10(11,12)13/h2-5,7,15H,6,14H2,1H3/t7-/m1/s1
InChIKeyFHMXKGGPVOXCJE-SSDOTTSWSA-N
MW298.29 g/mol
LogP1.21
Rot. Bonds5

About N-[(2R)-1-aminopropan-2-yl]-4-(trifluoromethoxy)benzenesulfonamide

N-[(2R)-1-aminopropan-2-yl]-4-(trifluoromethoxy)benzenesulfonamide (PubChem CID 104873326) has the molecular formula C10H13F3N2O3S and a molecular weight of 298.29 g/mol. Its IUPAC name is N-[(2R)-1-aminopropan-2-yl]-4-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-[(2R)-1-aminopropan-2-yl]-4-(trifluoromethoxy)benzenesulfonamide
PubChem CID104873326
Molecular FormulaC10H13F3N2O3S
Molecular Weight298.29 g/mol
Exact Mass298.06
IUPAC NameN-[(2R)-1-aminopropan-2-yl]-4-(trifluoromethoxy)benzenesulfonamide
SMILESC[C@H](CN)NS(=O)(=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C10H13F3N2O3S/c1-7(6-14)15-19(16,17)9-4-2-8(3-5-9)18-10(11,12)13/h2-5,7,15H,6,14H2,1H3/t7-/m1/s1
InChIKeyFHMXKGGPVOXCJE-SSDOTTSWSA-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-(6-methylheptan-2-yl)-4-(trifluoromethoxy)benzenesulfonamide
CID 17154344
N-(1-aminopropan-2-yl)-4-methoxybenzenesulfonamide
CID 61123975
diethyl 2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanedioate
CID 3716840
ethyl 3-methyl-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]butanoate
CID 2809519
N-[(2S)-1-aminopropan-2-yl]-2-(trifluoromethoxy)benzenesulfonamide
CID 98539299
4-(trifluoromethoxy)benzenesulfonohydrazide
CID 2744727
N-[2-methyl-3-(methylamino)propyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 115302773
N-[1-[(2S)-1-methylpiperidin-2-yl]propan-2-yl]-4-(trifluoromethoxy)benzenesulfonamide
CID 170430331
N-[(1S)-1-(furan-2-yl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 8817714
N-(1-amino-4-methylpentan-2-yl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]acetamide
CID 119586355
N-[(2R)-1-aminopropan-2-yl]-4-butan-2-ylbenzenesulfonamide
CID 104873238
N-[1-(2-methoxyphenyl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 4828145

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-aminopropan-2-yl]-4-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-[(2R)-1-aminopropan-2-yl]-4-(trifluoromethoxy)benzenesulfonamide (CID 104873326) is N-[(2R)-1-aminopropan-2-yl]-4-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-[(2R)-1-aminopropan-2-yl]-4-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-[(2R)-1-aminopropan-2-yl]-4-(trifluoromethoxy)benzenesulfonamide is C[C@H](CN)NS(=O)(=O)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-[(2R)-1-aminopropan-2-yl]-4-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is FHMXKGGPVOXCJE-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H13F3N2O3S/c1-7(6-14)15-19(16,17)9-4-2-8(3-5-9)18-10(11,12)13/h2-5,7,15H,6,14H2,1H3/t7-/m1/s1.
What are the key properties of N-[(2R)-1-aminopropan-2-yl]-4-(trifluoromethoxy)benzenesulfonamide?
N-[(2R)-1-aminopropan-2-yl]-4-(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-[(2R)-1-aminopropan-2-yl]-4-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 104873326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).