N-(1-amino-4-methylpentan-2-yl)-4-fluoro-2-(trifluoromethyl)benzenesulfonamide;hydrochloride

C13H19ClF4N2O2S — CID 119983219

IUPACN-(1-amino-4-methylpentan-2-yl)-4-fluoro-2-(trifluoromethyl)benzenesulfonamide;hydrochloride
SMILESCC(C)CC(CN)NS(=O)(=O)c1ccc(F)cc1C(F)(F)F.Cl
InChIInChI=1S/C13H18F4N2O2S.ClH/c1-8(2)5-10(7-18)19-22(20,21)12-4-3-9(14)6-11(12)13(15,16)17;/h3-4,6,8,10,19H,5,7,18H2,1-2H3;1H
InChIKeyYDMFHVPZMVWVJN-UHFFFAOYSA-N
MW378.82 g/mol
LogP2.92
Rot. Bonds6

About N-(1-amino-4-methylpentan-2-yl)-4-fluoro-2-(trifluoromethyl)benzenesulfonamide;hydrochloride

N-(1-amino-4-methylpentan-2-yl)-4-fluoro-2-(trifluoromethyl)benzenesulfonamide;hydrochloride (PubChem CID 119983219) has the molecular formula C13H19ClF4N2O2S and a molecular weight of 378.82 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-2-yl)-4-fluoro-2-(trifluoromethyl)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)-4-fluoro-2-(trifluoromethyl)benzenesulfonamide;hydrochloride
PubChem CID119983219
Molecular FormulaC13H19ClF4N2O2S
Molecular Weight378.82 g/mol
Exact Mass378.08
IUPAC NameN-(1-amino-4-methylpentan-2-yl)-4-fluoro-2-(trifluoromethyl)benzenesulfonamide;hydrochloride
SMILESCC(C)CC(CN)NS(=O)(=O)c1ccc(F)cc1C(F)(F)F.Cl
InChIInChI=1S/C13H18F4N2O2S.ClH/c1-8(2)5-10(7-18)19-22(20,21)12-4-3-9(14)6-11(12)13(15,16)17;/h3-4,6,8,10,19H,5,7,18H2,1-2H3;1H
InChIKeyYDMFHVPZMVWVJN-UHFFFAOYSA-N
XLogP2.92
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.82
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-1-amino-4-methylpentan-2-yl]-2-chloro-4-(trifluoromethyl)benzenesulfonamide
CID 124682011
N-(1-amino-4-methylpentan-2-yl)-2-(trifluoromethoxy)benzenesulfonamide;hydrochloride
CID 119983378
N-(1-amino-4-methylpentan-2-yl)-2-fluorobenzenesulfonamide;hydrochloride
CID 119983189
N-(1-amino-4-methylpentan-2-yl)-2,4-dimethylbenzenesulfonamide;hydrochloride
CID 119983252
4-fluoro-N-methyl-2-(trifluoromethyl)benzenesulfonamide
CID 165446474
N-(1-amino-4-methylpentan-2-yl)-2,4-dichlorobenzenesulfonamide;hydrochloride
CID 120710662
N-(1-amino-4-methylpentan-2-yl)-3-fluoro-5-methylbenzenesulfonamide
CID 119983418
N-(1-amino-4-methylpentan-2-yl)-2,4-dichloro-3-fluorobenzenesulfonamide
CID 103089008
N-(1-amino-4-methylpentan-2-yl)-3,4,5-trifluorobenzenesulfonamide
CID 119983411
N-(1-amino-4-methylpentan-2-yl)-3-chloro-2-fluorobenzenesulfonamide;hydrochloride
CID 119983149
N-(1-amino-4-methylpentan-2-yl)-4-bromo-2-chlorobenzenesulfonamide;hydrochloride
CID 119983138
N-(1-amino-4-methylpentan-2-yl)-5-bromo-2-methylbenzenesulfonamide;hydrochloride
CID 119983067

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)-4-fluoro-2-(trifluoromethyl)benzenesulfonamide;hydrochloride?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)-4-fluoro-2-(trifluoromethyl)benzenesulfonamide;hydrochloride (CID 119983219) is N-(1-amino-4-methylpentan-2-yl)-4-fluoro-2-(trifluoromethyl)benzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)-4-fluoro-2-(trifluoromethyl)benzenesulfonamide;hydrochloride?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)-4-fluoro-2-(trifluoromethyl)benzenesulfonamide;hydrochloride is CC(C)CC(CN)NS(=O)(=O)c1ccc(F)cc1C(F)(F)F.Cl.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)-4-fluoro-2-(trifluoromethyl)benzenesulfonamide;hydrochloride?
The InChIKey is YDMFHVPZMVWVJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F4N2O2S.ClH/c1-8(2)5-10(7-18)19-22(20,21)12-4-3-9(14)6-11(12)13(15,16)17;/h3-4,6,8,10,19H,5,7,18H2,1-2H3;1H.
What are the key properties of N-(1-amino-4-methylpentan-2-yl)-4-fluoro-2-(trifluoromethyl)benzenesulfonamide;hydrochloride?
N-(1-amino-4-methylpentan-2-yl)-4-fluoro-2-(trifluoromethyl)benzenesulfonamide;hydrochloride has a molecular weight of 378.82 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-methylpentan-2-yl)-4-fluoro-2-(trifluoromethyl)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 119983219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).