N-(3-amino-2,2-dimethylpropyl)-2-bromo-4-chloro-N-methylbenzenesulfonamide;hydrochloride

C12H19BrCl2N2O2S — CID 120712190

IUPACN-(3-amino-2,2-dimethylpropyl)-2-bromo-4-chloro-N-methylbenzenesulfonamide;hydrochloride
SMILESCN(CC(C)(C)CN)S(=O)(=O)c1ccc(Cl)cc1Br.Cl
InChIInChI=1S/C12H18BrClN2O2S.ClH/c1-12(2,7-15)8-16(3)19(17,18)11-5-4-9(14)6-10(11)13;/h4-6H,7-8,15H2,1-3H3;1H
InChIKeyCPZONHHEWZDIBG-UHFFFAOYSA-N
MW406.17 g/mol
LogP3.13
Rot. Bonds5

About N-(3-amino-2,2-dimethylpropyl)-2-bromo-4-chloro-N-methylbenzenesulfonamide;hydrochloride

N-(3-amino-2,2-dimethylpropyl)-2-bromo-4-chloro-N-methylbenzenesulfonamide;hydrochloride (PubChem CID 120712190) has the molecular formula C12H19BrCl2N2O2S and a molecular weight of 406.17 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-2-bromo-4-chloro-N-methylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-2-bromo-4-chloro-N-methylbenzenesulfonamide;hydrochloride
PubChem CID120712190
Molecular FormulaC12H19BrCl2N2O2S
Molecular Weight406.17 g/mol
Exact Mass403.97
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-2-bromo-4-chloro-N-methylbenzenesulfonamide;hydrochloride
SMILESCN(CC(C)(C)CN)S(=O)(=O)c1ccc(Cl)cc1Br.Cl
InChIInChI=1S/C12H18BrClN2O2S.ClH/c1-12(2,7-15)8-16(3)19(17,18)11-5-4-9(14)6-10(11)13;/h4-6H,7-8,15H2,1-3H3;1H
InChIKeyCPZONHHEWZDIBG-UHFFFAOYSA-N
XLogP3.13
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.17
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-2-bromo-N-methylbenzenesulfonamide
CID 79652331
N-(3-amino-2,2-dimethylpropyl)-4-chloro-N-methylbenzenesulfonamide;hydrochloride
CID 119991423
N-(3-amino-2,2-dimethylpropyl)-3-chloro-N-methylbenzenesulfonamide
CID 79652238
N-(3-amino-2,2-dimethylpropyl)-2-fluoro-N-methyl-5-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119991818
N-(3-amino-2,2-dimethylpropyl)-3-bromo-2-fluoro-N-methylbenzenesulfonamide
CID 120712222
N-(3-amino-2,2-dimethylpropyl)-2-chloro-N-methyl-4-nitrobenzenesulfonamide
CID 79645775
N-(3-amino-2,2-dimethylpropyl)-1-(3-chloro-4-fluorophenyl)-N-methylmethanesulfonamide;hydrochloride
CID 120875512
N-(3-amino-2,2-dimethylpropyl)-N,2-dimethylbenzenesulfonamide;hydrochloride
CID 119991411
N-(3-amino-2,2-dimethylpropyl)-4-fluoro-N,2-dimethylbenzenesulfonamide
CID 79652711
N-(3-amino-2,2-dimethylpropyl)-2-bromo-5-chloro-N-methylbenzamide;hydrochloride
CID 119656122
N-(3-amino-2,2-dimethylpropyl)-2,5-dichloro-4-methoxy-N-methylbenzenesulfonamide;hydrochloride
CID 119991685
N-(3-amino-2,2-dimethylpropyl)-3-bromo-N-methyl-4-nitrobenzenesulfonamide;hydrochloride
CID 119991390

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-2-bromo-4-chloro-N-methylbenzenesulfonamide;hydrochloride?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-2-bromo-4-chloro-N-methylbenzenesulfonamide;hydrochloride (CID 120712190) is N-(3-amino-2,2-dimethylpropyl)-2-bromo-4-chloro-N-methylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-2-bromo-4-chloro-N-methylbenzenesulfonamide;hydrochloride?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-2-bromo-4-chloro-N-methylbenzenesulfonamide;hydrochloride is CN(CC(C)(C)CN)S(=O)(=O)c1ccc(Cl)cc1Br.Cl.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-2-bromo-4-chloro-N-methylbenzenesulfonamide;hydrochloride?
The InChIKey is CPZONHHEWZDIBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrClN2O2S.ClH/c1-12(2,7-15)8-16(3)19(17,18)11-5-4-9(14)6-10(11)13;/h4-6H,7-8,15H2,1-3H3;1H.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-2-bromo-4-chloro-N-methylbenzenesulfonamide;hydrochloride?
N-(3-amino-2,2-dimethylpropyl)-2-bromo-4-chloro-N-methylbenzenesulfonamide;hydrochloride has a molecular weight of 406.17 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-2-bromo-4-chloro-N-methylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 120712190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).