N-(1-amino-2,4-dimethylpentan-2-yl)-2-(trifluoromethoxy)benzenesulfonamide;hydrochloride

C14H22ClF3N2O3S — CID 119985312

IUPACN-(1-amino-2,4-dimethylpentan-2-yl)-2-(trifluoromethoxy)benzenesulfonamide;hydrochloride
SMILESCC(C)CC(C)(CN)NS(=O)(=O)c1ccccc1OC(F)(F)F.Cl
InChIInChI=1S/C14H21F3N2O3S.ClH/c1-10(2)8-13(3,9-18)19-23(20,21)12-7-5-4-6-11(12)22-14(15,16)17;/h4-7,10,19H,8-9,18H2,1-3H3;1H
InChIKeySISMSOQASXWINU-UHFFFAOYSA-N
MW390.86 g/mol
LogP3.05
Rot. Bonds7

About N-(1-amino-2,4-dimethylpentan-2-yl)-2-(trifluoromethoxy)benzenesulfonamide;hydrochloride

N-(1-amino-2,4-dimethylpentan-2-yl)-2-(trifluoromethoxy)benzenesulfonamide;hydrochloride (PubChem CID 119985312) has the molecular formula C14H22ClF3N2O3S and a molecular weight of 390.86 g/mol. Its IUPAC name is N-(1-amino-2,4-dimethylpentan-2-yl)-2-(trifluoromethoxy)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2,4-dimethylpentan-2-yl)-2-(trifluoromethoxy)benzenesulfonamide;hydrochloride
PubChem CID119985312
Molecular FormulaC14H22ClF3N2O3S
Molecular Weight390.86 g/mol
Exact Mass390.10
IUPAC NameN-(1-amino-2,4-dimethylpentan-2-yl)-2-(trifluoromethoxy)benzenesulfonamide;hydrochloride
SMILESCC(C)CC(C)(CN)NS(=O)(=O)c1ccccc1OC(F)(F)F.Cl
InChIInChI=1S/C14H21F3N2O3S.ClH/c1-10(2)8-13(3,9-18)19-23(20,21)12-7-5-4-6-11(12)22-14(15,16)17;/h4-7,10,19H,8-9,18H2,1-3H3;1H
InChIKeySISMSOQASXWINU-UHFFFAOYSA-N
XLogP3.05
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.86
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-2,4-dimethylpentan-2-yl)-2-(trifluoromethyl)benzenesulfonamide
CID 119985196
N-(1-amino-2,4-dimethylpentan-2-yl)-2-bromobenzenesulfonamide;hydrochloride
CID 119985372
N-(1-amino-4-methylpentan-2-yl)-2-(trifluoromethoxy)benzenesulfonamide;hydrochloride
CID 119983378
N-(1-amino-2,4-dimethylpentan-2-yl)benzenesulfonamide;hydrochloride
CID 84591010
N-[(2S)-1-aminopropan-2-yl]-2-(trifluoromethoxy)benzenesulfonamide
CID 98539299
N-(2-methylpropyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 31065703
methyl 2-[(1-amino-2,4-dimethylpentan-2-yl)sulfamoyl]-6-fluorobenzoate
CID 119985420
N-(2-aminopropyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 63731279
N-(1-amino-2,4-dimethylpentan-2-yl)-2,4,5-trifluorobenzenesulfonamide
CID 119985170
3-N-(1-amino-2,4-dimethylpentan-2-yl)benzene-1,3-disulfonamide;hydrochloride
CID 119985204
N-(1-amino-2,4-dimethylpentan-2-yl)-2-bromo-4-fluorobenzenesulfonamide
CID 115310013
N-methoxy-2-(trifluoromethoxy)benzenesulfonamide
CID 60713586

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-2-(trifluoromethoxy)benzenesulfonamide;hydrochloride?
The IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-2-(trifluoromethoxy)benzenesulfonamide;hydrochloride (CID 119985312) is N-(1-amino-2,4-dimethylpentan-2-yl)-2-(trifluoromethoxy)benzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2,4-dimethylpentan-2-yl)-2-(trifluoromethoxy)benzenesulfonamide;hydrochloride?
The canonical SMILES for N-(1-amino-2,4-dimethylpentan-2-yl)-2-(trifluoromethoxy)benzenesulfonamide;hydrochloride is CC(C)CC(C)(CN)NS(=O)(=O)c1ccccc1OC(F)(F)F.Cl.
What is the InChIKey of N-(1-amino-2,4-dimethylpentan-2-yl)-2-(trifluoromethoxy)benzenesulfonamide;hydrochloride?
The InChIKey is SISMSOQASXWINU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2O3S.ClH/c1-10(2)8-13(3,9-18)19-23(20,21)12-7-5-4-6-11(12)22-14(15,16)17;/h4-7,10,19H,8-9,18H2,1-3H3;1H.
What are the key properties of N-(1-amino-2,4-dimethylpentan-2-yl)-2-(trifluoromethoxy)benzenesulfonamide;hydrochloride?
N-(1-amino-2,4-dimethylpentan-2-yl)-2-(trifluoromethoxy)benzenesulfonamide;hydrochloride has a molecular weight of 390.86 g/mol, XLogP of 3.05, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,4-dimethylpentan-2-yl)-2-(trifluoromethoxy)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 119985312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).