N-(3-amino-2,2-dimethylpropyl)-2-bromo-N-methylbenzenesulfonamide

C12H19BrN2O2S — CID 79652331

IUPACN-(3-amino-2,2-dimethylpropyl)-2-bromo-N-methylbenzenesulfonamide
SMILESCN(CC(C)(C)CN)S(=O)(=O)c1ccccc1Br
InChIInChI=1S/C12H19BrN2O2S/c1-12(2,8-14)9-15(3)18(16,17)11-7-5-4-6-10(11)13/h4-7H,8-9,14H2,1-3H3
InChIKeyXUXHCHPGXGQZLT-UHFFFAOYSA-N
MW335.27 g/mol
LogP2.05
Rot. Bonds5

About N-(3-amino-2,2-dimethylpropyl)-2-bromo-N-methylbenzenesulfonamide

N-(3-amino-2,2-dimethylpropyl)-2-bromo-N-methylbenzenesulfonamide (PubChem CID 79652331) has the molecular formula C12H19BrN2O2S and a molecular weight of 335.27 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-2-bromo-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-2-bromo-N-methylbenzenesulfonamide
PubChem CID79652331
Molecular FormulaC12H19BrN2O2S
Molecular Weight335.27 g/mol
Exact Mass334.04
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-2-bromo-N-methylbenzenesulfonamide
SMILESCN(CC(C)(C)CN)S(=O)(=O)c1ccccc1Br
InChIInChI=1S/C12H19BrN2O2S/c1-12(2,8-14)9-15(3)18(16,17)11-7-5-4-6-10(11)13/h4-7H,8-9,14H2,1-3H3
InChIKeyXUXHCHPGXGQZLT-UHFFFAOYSA-N
XLogP2.05
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.27
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-3-bromo-2-fluoro-N-methylbenzenesulfonamide
CID 120712222
N-(3-amino-2,2-dimethylpropyl)-N,2-dimethylbenzenesulfonamide;hydrochloride
CID 119991411
N-(2-aminoethyl)-2-bromo-N-methylbenzenesulfonamide
CID 62688610
N-(3-amino-2,2-dimethylpropyl)-2-methoxy-N-methylbenzenesulfonamide
CID 79652521
N-(3-amino-2,2-dimethylpropyl)-2-bromo-4-chloro-N-methylbenzenesulfonamide;hydrochloride
CID 120712190
N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-phenylmethanesulfonamide
CID 79652332
N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-phenylbenzenesulfonamide;hydrochloride
CID 119991804
N-[(2-aminophenyl)methyl]-2-bromo-N-methylbenzenesulfonamide
CID 43458478
N-(3-amino-2,2-dimethylpropyl)-3-bromo-4-methoxy-N-methylbenzenesulfonamide
CID 79653090
N-(3-amino-2,2-dimethylpropyl)-N-methylquinoline-8-sulfonamide;hydrochloride
CID 119991402
N-(3-amino-2,2-dimethylpropyl)-N-methylquinoline-5-sulfonamide;hydrochloride
CID 119991474
N-(3-amino-2,2-dimethylpropyl)-N-methylisoquinoline-5-sulfonamide
CID 79646274

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-2-bromo-N-methylbenzenesulfonamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-2-bromo-N-methylbenzenesulfonamide (CID 79652331) is N-(3-amino-2,2-dimethylpropyl)-2-bromo-N-methylbenzenesulfonamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-2-bromo-N-methylbenzenesulfonamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-2-bromo-N-methylbenzenesulfonamide is CN(CC(C)(C)CN)S(=O)(=O)c1ccccc1Br.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-2-bromo-N-methylbenzenesulfonamide?
The InChIKey is XUXHCHPGXGQZLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2O2S/c1-12(2,8-14)9-15(3)18(16,17)11-7-5-4-6-10(11)13/h4-7H,8-9,14H2,1-3H3.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-2-bromo-N-methylbenzenesulfonamide?
N-(3-amino-2,2-dimethylpropyl)-2-bromo-N-methylbenzenesulfonamide has a molecular weight of 335.27 g/mol, XLogP of 2.05, 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-N-methylbenzenesulfonamide is sourced from PubChem (CID 79652331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).