N-(1-amino-2-methylpropan-2-yl)-4-(2,2,2-trifluoroethyl)benzenesulfonamide;hydrochloride

C12H18ClF3N2O2S — CID 120709191

IUPACN-(1-amino-2-methylpropan-2-yl)-4-(2,2,2-trifluoroethyl)benzenesulfonamide;hydrochloride
SMILESCC(C)(CN)NS(=O)(=O)c1ccc(CC(F)(F)F)cc1.Cl
InChIInChI=1S/C12H17F3N2O2S.ClH/c1-11(2,8-16)17-20(18,19)10-5-3-9(4-6-10)7-12(13,14)15;/h3-6,17H,7-8,16H2,1-2H3;1H
InChIKeyBHJPGPYJMFETIB-UHFFFAOYSA-N
MW346.80 g/mol
LogP2.23
Rot. Bonds5

About N-(1-amino-2-methylpropan-2-yl)-4-(2,2,2-trifluoroethyl)benzenesulfonamide;hydrochloride

N-(1-amino-2-methylpropan-2-yl)-4-(2,2,2-trifluoroethyl)benzenesulfonamide;hydrochloride (PubChem CID 120709191) has the molecular formula C12H18ClF3N2O2S and a molecular weight of 346.80 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)-4-(2,2,2-trifluoroethyl)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-4-(2,2,2-trifluoroethyl)benzenesulfonamide;hydrochloride
PubChem CID120709191
Molecular FormulaC12H18ClF3N2O2S
Molecular Weight346.80 g/mol
Exact Mass346.07
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-4-(2,2,2-trifluoroethyl)benzenesulfonamide;hydrochloride
SMILESCC(C)(CN)NS(=O)(=O)c1ccc(CC(F)(F)F)cc1.Cl
InChIInChI=1S/C12H17F3N2O2S.ClH/c1-11(2,8-16)17-20(18,19)10-5-3-9(4-6-10)7-12(13,14)15;/h3-6,17H,7-8,16H2,1-2H3;1H
InChIKeyBHJPGPYJMFETIB-UHFFFAOYSA-N
XLogP2.23
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.80
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(1-amino-2-methylpropan-2-yl)-4-(2,2,2-trifluoroethyl)benzenesulfonamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-amino-2-methylpropan-2-yl)-4-methylbenzenesulfonamide;hydrochloride
CID 119975374
N-(3-amino-2,2-difluoropropyl)-4-(2,2,2-trifluoroethyl)benzenesulfonamide;hydrochloride
CID 120712963
N-(1-amino-2-methylpropan-2-yl)-4-ethoxybenzenesulfonamide;hydrochloride
CID 119975728
N-(1-amino-2-methylpropan-2-yl)-4-cyanobenzenesulfonamide
CID 55161784
N-(1-amino-2-methylpropan-2-yl)-4-(4-methoxyphenoxy)benzenesulfonamide;hydrochloride
CID 119975574
N-(1-amino-2-methylpropan-2-yl)-4-bromo-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119975578
N-(1-amino-2-methylpropan-2-yl)-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119975376
ethyl 4-[(1-amino-2-methylpropan-2-yl)sulfamoyl]benzoate;hydrochloride
CID 119975673
N-(1-amino-2-methylpropan-2-yl)-3,4,5-trifluorobenzenesulfonamide
CID 91659844
N-[2-(methylamino)propyl]-4-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 120824445
N-(1-amino-2-methylpropan-2-yl)-3,5-dichlorobenzenesulfonamide
CID 63194668
N-(1-amino-2-methylpropan-2-yl)-4-bromo-3-methoxybenzenesulfonamide;hydrochloride
CID 119975779

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)-4-(2,2,2-trifluoroethyl)benzenesulfonamide;hydrochloride?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-4-(2,2,2-trifluoroethyl)benzenesulfonamide;hydrochloride (CID 120709191) is N-(1-amino-2-methylpropan-2-yl)-4-(2,2,2-trifluoroethyl)benzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-4-(2,2,2-trifluoroethyl)benzenesulfonamide;hydrochloride?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-4-(2,2,2-trifluoroethyl)benzenesulfonamide;hydrochloride is CC(C)(CN)NS(=O)(=O)c1ccc(CC(F)(F)F)cc1.Cl.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-4-(2,2,2-trifluoroethyl)benzenesulfonamide;hydrochloride?
The InChIKey is BHJPGPYJMFETIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O2S.ClH/c1-11(2,8-16)17-20(18,19)10-5-3-9(4-6-10)7-12(13,14)15;/h3-6,17H,7-8,16H2,1-2H3;1H.
What are the key properties of N-(1-amino-2-methylpropan-2-yl)-4-(2,2,2-trifluoroethyl)benzenesulfonamide;hydrochloride?
N-(1-amino-2-methylpropan-2-yl)-4-(2,2,2-trifluoroethyl)benzenesulfonamide;hydrochloride has a molecular weight of 346.80 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylpropan-2-yl)-4-(2,2,2-trifluoroethyl)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 120709191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).