N-(2-amino-2-methylpropyl)-2-bromo-3-methylbenzenesulfonamide;hydrochloride

C11H18BrClN2O2S — CID 119988009

IUPACN-(2-amino-2-methylpropyl)-2-bromo-3-methylbenzenesulfonamide;hydrochloride
SMILESCc1cccc(S(=O)(=O)NCC(C)(C)N)c1Br.Cl
InChIInChI=1S/C11H17BrN2O2S.ClH/c1-8-5-4-6-9(10(8)12)17(15,16)14-7-11(2,3)13;/h4-6,14H,7,13H2,1-3H3;1H
InChIKeyDLETWAVBCFDXFJ-UHFFFAOYSA-N
MW357.70 g/mol
LogP2.19
Rot. Bonds4

About N-(2-amino-2-methylpropyl)-2-bromo-3-methylbenzenesulfonamide;hydrochloride

N-(2-amino-2-methylpropyl)-2-bromo-3-methylbenzenesulfonamide;hydrochloride (PubChem CID 119988009) has the molecular formula C11H18BrClN2O2S and a molecular weight of 357.70 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-2-bromo-3-methylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-2-bromo-3-methylbenzenesulfonamide;hydrochloride
PubChem CID119988009
Molecular FormulaC11H18BrClN2O2S
Molecular Weight357.70 g/mol
Exact Mass356.00
IUPAC NameN-(2-amino-2-methylpropyl)-2-bromo-3-methylbenzenesulfonamide;hydrochloride
SMILESCc1cccc(S(=O)(=O)NCC(C)(C)N)c1Br.Cl
InChIInChI=1S/C11H17BrN2O2S.ClH/c1-8-5-4-6-9(10(8)12)17(15,16)14-7-11(2,3)13;/h4-6,14H,7,13H2,1-3H3;1H
InChIKeyDLETWAVBCFDXFJ-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-(4-aminobutyl)-2-bromo-3-methylbenzenesulfonamide;hydrochloride
CID 120583575
2-bromo-3-methyl-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120825442
2-bromo-N-[2-(ethylamino)ethyl]-3-methylbenzenesulfonamide;hydrochloride
CID 119973473
N-(2-amino-2-methylpropyl)-4-bromo-2,5-dimethylbenzenesulfonamide;hydrochloride
CID 119987988
N-(2-amino-2-methylpropyl)-5-bromo-2-methylbenzenesulfonamide
CID 115303519
N-(2-amino-2-methylpropyl)naphthalene-1-sulfonamide
CID 84591300
N-(2-amino-2-methylpropyl)-2-ethylbenzenesulfonamide;hydrochloride
CID 120711490
N-(2-amino-2-methylpropyl)-2,5-dimethylbenzenesulfonamide;hydrochloride
CID 119988451
N-(3-bromo-2,2-dimethylpropyl)-2-methylbenzenesulfonamide
CID 115365244
N-(2-amino-2-methylpropyl)-2-methylsulfanylbenzenesulfonamide;hydrochloride
CID 120711544
N-(2-amino-2-methylpropyl)benzenesulfonamide;hydrochloride
CID 90081725
N-(2-amino-2-methylpropyl)-2,6-difluorobenzenesulfonamide;hydrochloride
CID 119987957

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-2-bromo-3-methylbenzenesulfonamide;hydrochloride?
The IUPAC name of N-(2-amino-2-methylpropyl)-2-bromo-3-methylbenzenesulfonamide;hydrochloride (CID 119988009) is N-(2-amino-2-methylpropyl)-2-bromo-3-methylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-2-bromo-3-methylbenzenesulfonamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-methylpropyl)-2-bromo-3-methylbenzenesulfonamide;hydrochloride is Cc1cccc(S(=O)(=O)NCC(C)(C)N)c1Br.Cl.
What is the InChIKey of N-(2-amino-2-methylpropyl)-2-bromo-3-methylbenzenesulfonamide;hydrochloride?
The InChIKey is DLETWAVBCFDXFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2O2S.ClH/c1-8-5-4-6-9(10(8)12)17(15,16)14-7-11(2,3)13;/h4-6,14H,7,13H2,1-3H3;1H.
What are the key properties of N-(2-amino-2-methylpropyl)-2-bromo-3-methylbenzenesulfonamide;hydrochloride?
N-(2-amino-2-methylpropyl)-2-bromo-3-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-(2-amino-2-methylpropyl)-2-bromo-3-methylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 119988009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).