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

C11H18BrClN2O2S — CID 119975386

IUPACN-(1-amino-2-methylpropan-2-yl)-5-bromo-2-methylbenzenesulfonamide;hydrochloride
SMILESCc1ccc(Br)cc1S(=O)(=O)NC(C)(C)CN.Cl
InChIInChI=1S/C11H17BrN2O2S.ClH/c1-8-4-5-9(12)6-10(8)17(15,16)14-11(2,3)7-13;/h4-6,14H,7,13H2,1-3H3;1H
InChIKeyYBSLJDWBVVUZQI-UHFFFAOYSA-N
MW357.70 g/mol
LogP2.19
Rot. Bonds4

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

N-(1-amino-2-methylpropan-2-yl)-5-bromo-2-methylbenzenesulfonamide;hydrochloride (PubChem CID 119975386) has the molecular formula C11H18BrClN2O2S and a molecular weight of 357.70 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)-5-bromo-2-methylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-5-bromo-2-methylbenzenesulfonamide;hydrochloride
PubChem CID119975386
Molecular FormulaC11H18BrClN2O2S
Molecular Weight357.70 g/mol
Exact Mass356.00
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-5-bromo-2-methylbenzenesulfonamide;hydrochloride
SMILESCc1ccc(Br)cc1S(=O)(=O)NC(C)(C)CN.Cl
InChIInChI=1S/C11H17BrN2O2S.ClH/c1-8-4-5-9(12)6-10(8)17(15,16)14-11(2,3)7-13;/h4-6,14H,7,13H2,1-3H3;1H
InChIKeyYBSLJDWBVVUZQI-UHFFFAOYSA-N
XLogP2.19
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.70
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-2-methylpropan-2-yl)-2,5-dimethylbenzenesulfonamide;hydrochloride
CID 119975791
N-(1-amino-2-methylpropan-2-yl)-5-fluoro-2-methylbenzenesulfonamide
CID 61124375
ethyl 3-[(1-amino-2-methylpropan-2-yl)sulfamoyl]-4-methylbenzoate;hydrochloride
CID 120709189
N-(2-amino-2-methylpropyl)-5-bromo-2-methylbenzenesulfonamide
CID 115303519
2-amino-5-bromo-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 54888928
N-(1-amino-2-methylpropan-2-yl)-4-chloro-2-methylbenzenesulfonamide;hydrochloride
CID 119975810
2-amino-5-bromo-N-(2,4,4-trimethylpentan-2-yl)benzenesulfonamide
CID 63401977
N-(2-amino-2-ethylbutyl)-5-bromo-2-methylbenzenesulfonamide
CID 115306000
N-(1-amino-4-methylpentan-2-yl)-5-bromo-2-methylbenzenesulfonamide;hydrochloride
CID 119983067
N-(1-amino-2-methylpropan-2-yl)-4-chloro-2-methylbenzenesulfonamide
CID 63194541
5-bromo-2-methyl-N-propan-2-ylbenzenesulfonamide
CID 8777711
5-bromo-2-methyl-N-(2-methylpropyl)benzenesulfonamide
CID 8777819

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)-5-bromo-2-methylbenzenesulfonamide;hydrochloride?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-5-bromo-2-methylbenzenesulfonamide;hydrochloride (CID 119975386) is N-(1-amino-2-methylpropan-2-yl)-5-bromo-2-methylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-5-bromo-2-methylbenzenesulfonamide;hydrochloride?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-5-bromo-2-methylbenzenesulfonamide;hydrochloride is Cc1ccc(Br)cc1S(=O)(=O)NC(C)(C)CN.Cl.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-5-bromo-2-methylbenzenesulfonamide;hydrochloride?
The InChIKey is YBSLJDWBVVUZQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2O2S.ClH/c1-8-4-5-9(12)6-10(8)17(15,16)14-11(2,3)7-13;/h4-6,14H,7,13H2,1-3H3;1H.
What are the key properties of N-(1-amino-2-methylpropan-2-yl)-5-bromo-2-methylbenzenesulfonamide;hydrochloride?
N-(1-amino-2-methylpropan-2-yl)-5-bromo-2-methylbenzenesulfonamide;hydrochloride has a molecular weight of 357.70 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylpropan-2-yl)-5-bromo-2-methylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 119975386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).