N-(1-amino-4-methylpentan-2-yl)-4-bromo-3-methylbenzenesulfonamide;hydrochloride

C13H22BrClN2O2S — CID 119983139

IUPACN-(1-amino-4-methylpentan-2-yl)-4-bromo-3-methylbenzenesulfonamide;hydrochloride
SMILESCc1cc(S(=O)(=O)NC(CN)CC(C)C)ccc1Br.Cl
InChIInChI=1S/C13H21BrN2O2S.ClH/c1-9(2)6-11(8-15)16-19(17,18)12-4-5-13(14)10(3)7-12;/h4-5,7,9,11,16H,6,8,15H2,1-3H3;1H
InChIKeyJHPLVKVVMANLNA-UHFFFAOYSA-N
MW385.76 g/mol
LogP2.83
Rot. Bonds6

About N-(1-amino-4-methylpentan-2-yl)-4-bromo-3-methylbenzenesulfonamide;hydrochloride

N-(1-amino-4-methylpentan-2-yl)-4-bromo-3-methylbenzenesulfonamide;hydrochloride (PubChem CID 119983139) 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)-4-bromo-3-methylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)-4-bromo-3-methylbenzenesulfonamide;hydrochloride
PubChem CID119983139
Molecular FormulaC13H22BrClN2O2S
Molecular Weight385.76 g/mol
Exact Mass384.03
IUPAC NameN-(1-amino-4-methylpentan-2-yl)-4-bromo-3-methylbenzenesulfonamide;hydrochloride
SMILESCc1cc(S(=O)(=O)NC(CN)CC(C)C)ccc1Br.Cl
InChIInChI=1S/C13H21BrN2O2S.ClH/c1-9(2)6-11(8-15)16-19(17,18)12-4-5-13(14)10(3)7-12;/h4-5,7,9,11,16H,6,8,15H2,1-3H3;1H
InChIKeyJHPLVKVVMANLNA-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

Analyze N-(1-amino-4-methylpentan-2-yl)-4-bromo-3-methylbenzenesulfonamide;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-4-methylpentan-2-yl)-4-bromobenzenesulfonamide
CID 63887954
N-(1-amino-4-methylpentan-2-yl)-4-cyano-3-methylbenzenesulfonamide
CID 106920558
N-(1-amino-4-methylpentan-2-yl)-5-bromo-2-methylbenzenesulfonamide;hydrochloride
CID 119983067
(2S)-2-[(4-bromo-3-methylphenyl)sulfonylamino]-4-methylpentanoic acid
CID 61156389
N-(1-amino-4-methylpentan-2-yl)-2,4-dimethylbenzenesulfonamide;hydrochloride
CID 119983252
N-(1-amino-4-methylpentan-2-yl)-3-ethylbenzenesulfonamide;hydrochloride
CID 119983421
N-(1-amino-4-methylpentan-2-yl)-5-bromo-2-methoxy-4-methylbenzenesulfonamide
CID 119983120
N-(1-amino-4-methylpentan-2-yl)-4-(methylsulfonylmethyl)benzenesulfonamide;hydrochloride
CID 119983408
N-(1-amino-4-methylpentan-2-yl)-4-bromo-2-chlorobenzenesulfonamide;hydrochloride
CID 119983138
N-(1-amino-4-methylpentan-2-yl)-3-chloro-4-cyanobenzenesulfonamide;hydrochloride
CID 119983339
4-bromo-3-methyl-N-(1-phenylethyl)benzenesulfonamide
CID 42998950
N-[4-[(1-amino-4-methylpentan-2-yl)sulfamoyl]phenyl]acetamide;hydrochloride
CID 119983132

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)-4-bromo-3-methylbenzenesulfonamide;hydrochloride?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)-4-bromo-3-methylbenzenesulfonamide;hydrochloride (CID 119983139) is N-(1-amino-4-methylpentan-2-yl)-4-bromo-3-methylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)-4-bromo-3-methylbenzenesulfonamide;hydrochloride?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)-4-bromo-3-methylbenzenesulfonamide;hydrochloride is Cc1cc(S(=O)(=O)NC(CN)CC(C)C)ccc1Br.Cl.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)-4-bromo-3-methylbenzenesulfonamide;hydrochloride?
The InChIKey is JHPLVKVVMANLNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN2O2S.ClH/c1-9(2)6-11(8-15)16-19(17,18)12-4-5-13(14)10(3)7-12;/h4-5,7,9,11,16H,6,8,15H2,1-3H3;1H.
What are the key properties of N-(1-amino-4-methylpentan-2-yl)-4-bromo-3-methylbenzenesulfonamide;hydrochloride?
N-(1-amino-4-methylpentan-2-yl)-4-bromo-3-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)-4-bromo-3-methylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 119983139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).