N-(2-amino-2-methylpropyl)-3-(trifluoromethyl)benzenesulfonamide;hydrochloride

C11H16ClF3N2O2S — CID 119988015

IUPACN-(2-amino-2-methylpropyl)-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
SMILESCC(C)(N)CNS(=O)(=O)c1cccc(C(F)(F)F)c1.Cl
InChIInChI=1S/C11H15F3N2O2S.ClH/c1-10(2,15)7-16-19(17,18)9-5-3-4-8(6-9)11(12,13)14;/h3-6,16H,7,15H2,1-2H3;1H
InChIKeyFUEZMKPTWFTCLN-UHFFFAOYSA-N
MW332.78 g/mol
LogP2.14
Rot. Bonds4

About N-(2-amino-2-methylpropyl)-3-(trifluoromethyl)benzenesulfonamide;hydrochloride

N-(2-amino-2-methylpropyl)-3-(trifluoromethyl)benzenesulfonamide;hydrochloride (PubChem CID 119988015) has the molecular formula C11H16ClF3N2O2S and a molecular weight of 332.78 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-3-(trifluoromethyl)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
PubChem CID119988015
Molecular FormulaC11H16ClF3N2O2S
Molecular Weight332.78 g/mol
Exact Mass332.06
IUPAC NameN-(2-amino-2-methylpropyl)-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
SMILESCC(C)(N)CNS(=O)(=O)c1cccc(C(F)(F)F)c1.Cl
InChIInChI=1S/C11H15F3N2O2S.ClH/c1-10(2,15)7-16-19(17,18)9-5-3-4-8(6-9)11(12,13)14;/h3-6,16H,7,15H2,1-2H3;1H
InChIKeyFUEZMKPTWFTCLN-UHFFFAOYSA-N
XLogP2.14
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.78
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-2-methylpropan-2-yl)-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119975376
N-(cyanomethyl)-3-(trifluoromethyl)benzenesulfonamide
CID 3780840
N-(2-amino-2-methylpropyl)benzenesulfonamide;hydrochloride
CID 90081725
N-(2-amino-2-methylpropyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119988055
N-(2-amino-2-methylpropyl)-2-chloro-5-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119988016
3-[(2-amino-2-methylpropyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride
CID 119988475
N-[2-[bis[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]ethyl]amino]ethyl]-3-(trifluoromethyl)benzenesulfonamide
CID 11029080
N-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 9302241
N-dodecyl-3-(trifluoromethyl)benzenesulfonamide
CID 23358572
N-octyl-3-(trifluoromethyl)benzenesulfonamide
CID 67803477
3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanethioamide
CID 62667844
N-(2-amino-4-methylpentyl)-3-(trifluoromethyl)benzenesulfonamide
CID 43606280

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-3-(trifluoromethyl)benzenesulfonamide;hydrochloride?
The IUPAC name of N-(2-amino-2-methylpropyl)-3-(trifluoromethyl)benzenesulfonamide;hydrochloride (CID 119988015) is N-(2-amino-2-methylpropyl)-3-(trifluoromethyl)benzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-3-(trifluoromethyl)benzenesulfonamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-methylpropyl)-3-(trifluoromethyl)benzenesulfonamide;hydrochloride is CC(C)(N)CNS(=O)(=O)c1cccc(C(F)(F)F)c1.Cl.
What is the InChIKey of N-(2-amino-2-methylpropyl)-3-(trifluoromethyl)benzenesulfonamide;hydrochloride?
The InChIKey is FUEZMKPTWFTCLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O2S.ClH/c1-10(2,15)7-16-19(17,18)9-5-3-4-8(6-9)11(12,13)14;/h3-6,16H,7,15H2,1-2H3;1H.
What are the key properties of N-(2-amino-2-methylpropyl)-3-(trifluoromethyl)benzenesulfonamide;hydrochloride?
N-(2-amino-2-methylpropyl)-3-(trifluoromethyl)benzenesulfonamide;hydrochloride has a molecular weight of 332.78 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-3-(trifluoromethyl)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 119988015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).