N-(1-amino-4-methylpentan-2-yl)-3-chloro-2-fluorobenzenesulfonamide;hydrochloride

C12H19Cl2FN2O2S — CID 119983149

IUPACN-(1-amino-4-methylpentan-2-yl)-3-chloro-2-fluorobenzenesulfonamide;hydrochloride
SMILESCC(C)CC(CN)NS(=O)(=O)c1cccc(Cl)c1F.Cl
InChIInChI=1S/C12H18ClFN2O2S.ClH/c1-8(2)6-9(7-15)16-19(17,18)11-5-3-4-10(13)12(11)14;/h3-5,8-9,16H,6-7,15H2,1-2H3;1H
InChIKeyGPWIEESYUVTFKU-UHFFFAOYSA-N
MW345.27 g/mol
LogP2.55
Rot. Bonds6

About N-(1-amino-4-methylpentan-2-yl)-3-chloro-2-fluorobenzenesulfonamide;hydrochloride

N-(1-amino-4-methylpentan-2-yl)-3-chloro-2-fluorobenzenesulfonamide;hydrochloride (PubChem CID 119983149) has the molecular formula C12H19Cl2FN2O2S and a molecular weight of 345.27 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-2-yl)-3-chloro-2-fluorobenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)-3-chloro-2-fluorobenzenesulfonamide;hydrochloride
PubChem CID119983149
Molecular FormulaC12H19Cl2FN2O2S
Molecular Weight345.27 g/mol
Exact Mass344.05
IUPAC NameN-(1-amino-4-methylpentan-2-yl)-3-chloro-2-fluorobenzenesulfonamide;hydrochloride
SMILESCC(C)CC(CN)NS(=O)(=O)c1cccc(Cl)c1F.Cl
InChIInChI=1S/C12H18ClFN2O2S.ClH/c1-8(2)6-9(7-15)16-19(17,18)11-5-3-4-10(13)12(11)14;/h3-5,8-9,16H,6-7,15H2,1-2H3;1H
InChIKeyGPWIEESYUVTFKU-UHFFFAOYSA-N
XLogP2.55
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.27
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-4-methylpentan-2-yl)-2-chlorobenzenesulfonamide;hydrochloride
CID 119983371
N-(1-amino-4-methylpentan-2-yl)-2,4-dichloro-3-fluorobenzenesulfonamide
CID 103089008
N-(1-amino-4-methylpentan-2-yl)-2-fluorobenzenesulfonamide;hydrochloride
CID 119983189
N-(1-amino-4-methylpentan-2-yl)-2,4-dichlorobenzenesulfonamide;hydrochloride
CID 120710662
N-(1-amino-4-methylpentan-2-yl)-4-bromo-2-chlorobenzenesulfonamide;hydrochloride
CID 119983138
N-(1-amino-4-methylpentan-2-yl)-2-(trifluoromethoxy)benzenesulfonamide;hydrochloride
CID 119983378
N-[(2S)-1-amino-4-methylpentan-2-yl]-2-chloro-4-(trifluoromethyl)benzenesulfonamide
CID 124682011
N-(3-aminobutyl)-3-chloro-2-fluorobenzenesulfonamide
CID 63251282
(2R)-2-[(3-chloro-2-fluorophenyl)sulfonylamino]propanoic acid
CID 54991248
N-[(2S)-1-amino-4-methylpentan-2-yl]quinoline-8-sulfonamide
CID 97238593
N-[4-[(1-amino-4-methylpentan-2-yl)sulfamoyl]-2-chloro-5-fluorophenyl]acetamide
CID 119983105
N-(1-amino-4-methylpentan-2-yl)-4-fluoro-2-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119983219

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)-3-chloro-2-fluorobenzenesulfonamide;hydrochloride?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)-3-chloro-2-fluorobenzenesulfonamide;hydrochloride (CID 119983149) is N-(1-amino-4-methylpentan-2-yl)-3-chloro-2-fluorobenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)-3-chloro-2-fluorobenzenesulfonamide;hydrochloride?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)-3-chloro-2-fluorobenzenesulfonamide;hydrochloride is CC(C)CC(CN)NS(=O)(=O)c1cccc(Cl)c1F.Cl.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)-3-chloro-2-fluorobenzenesulfonamide;hydrochloride?
The InChIKey is GPWIEESYUVTFKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClFN2O2S.ClH/c1-8(2)6-9(7-15)16-19(17,18)11-5-3-4-10(13)12(11)14;/h3-5,8-9,16H,6-7,15H2,1-2H3;1H.
What are the key properties of N-(1-amino-4-methylpentan-2-yl)-3-chloro-2-fluorobenzenesulfonamide;hydrochloride?
N-(1-amino-4-methylpentan-2-yl)-3-chloro-2-fluorobenzenesulfonamide;hydrochloride has a molecular weight of 345.27 g/mol, XLogP of 2.55, 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)-3-chloro-2-fluorobenzenesulfonamide;hydrochloride is sourced from PubChem (CID 119983149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).