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

C13H22BrClN2O2S — CID 119985372

IUPACN-(1-amino-2,4-dimethylpentan-2-yl)-2-bromobenzenesulfonamide;hydrochloride
SMILESCC(C)CC(C)(CN)NS(=O)(=O)c1ccccc1Br.Cl
InChIInChI=1S/C13H21BrN2O2S.ClH/c1-10(2)8-13(3,9-15)16-19(17,18)12-7-5-4-6-11(12)14;/h4-7,10,16H,8-9,15H2,1-3H3;1H
InChIKeyILPFKBCIZZCETG-UHFFFAOYSA-N
MW385.76 g/mol
LogP2.91
Rot. Bonds6

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

N-(1-amino-2,4-dimethylpentan-2-yl)-2-bromobenzenesulfonamide;hydrochloride (PubChem CID 119985372) has the molecular formula C13H22BrClN2O2S and a molecular weight of 385.76 g/mol. Its IUPAC name is N-(1-amino-2,4-dimethylpentan-2-yl)-2-bromobenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2,4-dimethylpentan-2-yl)-2-bromobenzenesulfonamide;hydrochloride
PubChem CID119985372
Molecular FormulaC13H22BrClN2O2S
Molecular Weight385.76 g/mol
Exact Mass384.03
IUPAC NameN-(1-amino-2,4-dimethylpentan-2-yl)-2-bromobenzenesulfonamide;hydrochloride
SMILESCC(C)CC(C)(CN)NS(=O)(=O)c1ccccc1Br.Cl
InChIInChI=1S/C13H21BrN2O2S.ClH/c1-10(2)8-13(3,9-15)16-19(17,18)12-7-5-4-6-11(12)14;/h4-7,10,16H,8-9,15H2,1-3H3;1H
InChIKeyILPFKBCIZZCETG-UHFFFAOYSA-N
XLogP2.91
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.76
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-2,4-dimethylpentan-2-yl)benzenesulfonamide;hydrochloride
CID 84591010
N-(1-amino-2,4-dimethylpentan-2-yl)-2-bromo-4-fluorobenzenesulfonamide
CID 115310013
N-(1-amino-2,4-dimethylpentan-2-yl)-2-(trifluoromethyl)benzenesulfonamide
CID 119985196
N-(1-amino-2,3-dimethylbutan-2-yl)-2-bromobenzenesulfonamide
CID 113284014
N-(1-amino-2,4-dimethylpentan-2-yl)-2-(trifluoromethoxy)benzenesulfonamide;hydrochloride
CID 119985312
3-N-(1-amino-2,4-dimethylpentan-2-yl)benzene-1,3-disulfonamide;hydrochloride
CID 119985204
N-[(2R)-1-amino-2,4-dimethylpentan-2-yl]methanesulfonamide
CID 97237986
N-(1-amino-2,4-dimethylpentan-2-yl)-1-phenylmethanesulfonamide
CID 115309921
N-(1-amino-2,4-dimethylpentan-2-yl)-2,4,5-trifluorobenzenesulfonamide
CID 119985170
methyl 2-[(1-amino-2,4-dimethylpentan-2-yl)sulfamoyl]-6-fluorobenzoate
CID 119985420
N-(1-amino-2,4-dimethylpentan-2-yl)-2-phenylethanesulfonamide
CID 115310011
N-(1-amino-2,4-dimethylpentan-2-yl)-4-methoxybenzenesulfonamide
CID 115309909

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-2-bromobenzenesulfonamide;hydrochloride?
The IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-2-bromobenzenesulfonamide;hydrochloride (CID 119985372) is N-(1-amino-2,4-dimethylpentan-2-yl)-2-bromobenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2,4-dimethylpentan-2-yl)-2-bromobenzenesulfonamide;hydrochloride?
The canonical SMILES for N-(1-amino-2,4-dimethylpentan-2-yl)-2-bromobenzenesulfonamide;hydrochloride is CC(C)CC(C)(CN)NS(=O)(=O)c1ccccc1Br.Cl.
What is the InChIKey of N-(1-amino-2,4-dimethylpentan-2-yl)-2-bromobenzenesulfonamide;hydrochloride?
The InChIKey is ILPFKBCIZZCETG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN2O2S.ClH/c1-10(2)8-13(3,9-15)16-19(17,18)12-7-5-4-6-11(12)14;/h4-7,10,16H,8-9,15H2,1-3H3;1H.
What are the key properties of N-(1-amino-2,4-dimethylpentan-2-yl)-2-bromobenzenesulfonamide;hydrochloride?
N-(1-amino-2,4-dimethylpentan-2-yl)-2-bromobenzenesulfonamide;hydrochloride has a molecular weight of 385.76 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,4-dimethylpentan-2-yl)-2-bromobenzenesulfonamide;hydrochloride is sourced from PubChem (CID 119985372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).