N-(1-amino-4-methylpentan-2-yl)-5-bromo-2-methylbenzenesulfonamide;hydrochloride

C13H22BrClN2O2S — CID 119983067

IUPACN-(1-amino-4-methylpentan-2-yl)-5-bromo-2-methylbenzenesulfonamide;hydrochloride
SMILESCc1ccc(Br)cc1S(=O)(=O)NC(CN)CC(C)C.Cl
InChIInChI=1S/C13H21BrN2O2S.ClH/c1-9(2)6-12(8-15)16-19(17,18)13-7-11(14)5-4-10(13)3;/h4-5,7,9,12,16H,6,8,15H2,1-3H3;1H
InChIKeyIJCKRSXOWZAAMB-UHFFFAOYSA-N
MW385.76 g/mol
LogP2.83
Rot. Bonds6

About N-(1-amino-4-methylpentan-2-yl)-5-bromo-2-methylbenzenesulfonamide;hydrochloride

N-(1-amino-4-methylpentan-2-yl)-5-bromo-2-methylbenzenesulfonamide;hydrochloride (PubChem CID 119983067) has the molecular formula C13H22BrClN2O2S and a molecular weight of 385.76 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-2-yl)-5-bromo-2-methylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)-5-bromo-2-methylbenzenesulfonamide;hydrochloride
PubChem CID119983067
Molecular FormulaC13H22BrClN2O2S
Molecular Weight385.76 g/mol
Exact Mass384.03
IUPAC NameN-(1-amino-4-methylpentan-2-yl)-5-bromo-2-methylbenzenesulfonamide;hydrochloride
SMILESCc1ccc(Br)cc1S(=O)(=O)NC(CN)CC(C)C.Cl
InChIInChI=1S/C13H21BrN2O2S.ClH/c1-9(2)6-12(8-15)16-19(17,18)13-7-11(14)5-4-10(13)3;/h4-5,7,9,12,16H,6,8,15H2,1-3H3;1H
InChIKeyIJCKRSXOWZAAMB-UHFFFAOYSA-N
XLogP2.83
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 ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-4-methylpentan-2-yl)-4-bromo-2-chlorobenzenesulfonamide;hydrochloride
CID 119983138
N-(1-amino-4-methylpentan-2-yl)-2,4-dimethylbenzenesulfonamide;hydrochloride
CID 119983252
5-bromo-2-methyl-N-propan-2-ylbenzenesulfonamide
CID 8777711
N-(1-amino-4-methylpentan-2-yl)-4-bromobenzenesulfonamide
CID 63887954
N-(1-amino-4-methylpentan-2-yl)-4-bromo-3-methylbenzenesulfonamide;hydrochloride
CID 119983139
2,5-dibromo-N-(1-hydroxy-4-methylpentan-2-yl)benzenesulfonamide
CID 61246459
5-bromo-2-methyl-N-(2-methylpropyl)benzenesulfonamide
CID 8777819
N-(1-amino-4-methylpentan-2-yl)-5-bromo-2-methoxy-4-methylbenzenesulfonamide
CID 119983120
N-(1-amino-4-methylpentan-2-yl)-2,4-dichlorobenzenesulfonamide;hydrochloride
CID 120710662
N-[(2S)-1-amino-4-methylpentan-2-yl]-4-cyano-2-methylbenzenesulfonamide
CID 97238595
N-(1-amino-4-methylpentan-2-yl)-2-fluorobenzenesulfonamide;hydrochloride
CID 119983189
N-(1-amino-4-methylpentan-2-yl)-2-chlorobenzenesulfonamide;hydrochloride
CID 119983371

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)-5-bromo-2-methylbenzenesulfonamide;hydrochloride?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)-5-bromo-2-methylbenzenesulfonamide;hydrochloride (CID 119983067) is N-(1-amino-4-methylpentan-2-yl)-5-bromo-2-methylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)-5-bromo-2-methylbenzenesulfonamide;hydrochloride?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)-5-bromo-2-methylbenzenesulfonamide;hydrochloride is Cc1ccc(Br)cc1S(=O)(=O)NC(CN)CC(C)C.Cl.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)-5-bromo-2-methylbenzenesulfonamide;hydrochloride?
The InChIKey is IJCKRSXOWZAAMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN2O2S.ClH/c1-9(2)6-12(8-15)16-19(17,18)13-7-11(14)5-4-10(13)3;/h4-5,7,9,12,16H,6,8,15H2,1-3H3;1H.
What are the key properties of N-(1-amino-4-methylpentan-2-yl)-5-bromo-2-methylbenzenesulfonamide;hydrochloride?
N-(1-amino-4-methylpentan-2-yl)-5-bromo-2-methylbenzenesulfonamide;hydrochloride has a molecular weight of 385.76 g/mol, XLogP of 2.83, 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)-5-bromo-2-methylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 119983067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).