N-(1-amino-2,3-dimethylbutan-2-yl)-2-bromobenzenesulfonamide

C12H19BrN2O2S — CID 113284014

IUPACN-(1-amino-2,3-dimethylbutan-2-yl)-2-bromobenzenesulfonamide
SMILESCC(C)C(C)(CN)NS(=O)(=O)c1ccccc1Br
InChIInChI=1S/C12H19BrN2O2S/c1-9(2)12(3,8-14)15-18(16,17)11-7-5-4-6-10(11)13/h4-7,9,15H,8,14H2,1-3H3
InChIKeyOFWWODHMRKZFLZ-UHFFFAOYSA-N
MW335.27 g/mol
LogP2.10
Rot. Bonds5

About N-(1-amino-2,3-dimethylbutan-2-yl)-2-bromobenzenesulfonamide

N-(1-amino-2,3-dimethylbutan-2-yl)-2-bromobenzenesulfonamide (PubChem CID 113284014) has the molecular formula C12H19BrN2O2S and a molecular weight of 335.27 g/mol. Its IUPAC name is N-(1-amino-2,3-dimethylbutan-2-yl)-2-bromobenzenesulfonamide.

Molecular Properties

Compound NameN-(1-amino-2,3-dimethylbutan-2-yl)-2-bromobenzenesulfonamide
PubChem CID113284014
Molecular FormulaC12H19BrN2O2S
Molecular Weight335.27 g/mol
Exact Mass334.04
IUPAC NameN-(1-amino-2,3-dimethylbutan-2-yl)-2-bromobenzenesulfonamide
SMILESCC(C)C(C)(CN)NS(=O)(=O)c1ccccc1Br
InChIInChI=1S/C12H19BrN2O2S/c1-9(2)12(3,8-14)15-18(16,17)11-7-5-4-6-10(11)13/h4-7,9,15H,8,14H2,1-3H3
InChIKeyOFWWODHMRKZFLZ-UHFFFAOYSA-N
XLogP2.10
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.27
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-2,3-dimethylbutan-2-yl)-2,4-dibromobenzenesulfonamide
CID 115310737
N-(1-amino-2,3-dimethylbutan-2-yl)-2-fluorobenzenesulfonamide
CID 115310559
N-(1-amino-2,4-dimethylpentan-2-yl)-2-bromobenzenesulfonamide;hydrochloride
CID 119985372
N-(1-amino-2,3-dimethylbutan-2-yl)-2-cyanobenzenesulfonamide
CID 115310566
N-(1-amino-2,3-dimethylbutan-2-yl)-4-bromo-2-fluorobenzenesulfonamide
CID 116527968
N-(1-amino-2,3-dimethylbutan-2-yl)-4-methylbenzenesulfonamide
CID 115310726
N-(1-amino-2,3-dimethylbutan-2-yl)-2,3,4-trifluorobenzenesulfonamide
CID 115310595
N-(1-amino-2,3-dimethylbutan-2-yl)-3-fluoro-2-nitrobenzenesulfonamide
CID 115993179
N-(3-amino-2-methylpropyl)-2-bromobenzenesulfonamide
CID 115271580
N-(1-amino-2,3-dimethylbutan-2-yl)-5-bromo-2-ethoxybenzenesulfonamide
CID 115310717
N-(1-amino-2,3-dimethylbutan-2-yl)-3-fluorobenzenesulfonamide
CID 115310585
2-bromo-N-(3,3-dimethylbutan-2-yl)benzenesulfonamide
CID 25043542

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-2-bromobenzenesulfonamide?
The IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-2-bromobenzenesulfonamide (CID 113284014) is N-(1-amino-2,3-dimethylbutan-2-yl)-2-bromobenzenesulfonamide.
What is the SMILES notation for N-(1-amino-2,3-dimethylbutan-2-yl)-2-bromobenzenesulfonamide?
The canonical SMILES for N-(1-amino-2,3-dimethylbutan-2-yl)-2-bromobenzenesulfonamide is CC(C)C(C)(CN)NS(=O)(=O)c1ccccc1Br.
What is the InChIKey of N-(1-amino-2,3-dimethylbutan-2-yl)-2-bromobenzenesulfonamide?
The InChIKey is OFWWODHMRKZFLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2O2S/c1-9(2)12(3,8-14)15-18(16,17)11-7-5-4-6-10(11)13/h4-7,9,15H,8,14H2,1-3H3.
What are the key properties of N-(1-amino-2,3-dimethylbutan-2-yl)-2-bromobenzenesulfonamide?
N-(1-amino-2,3-dimethylbutan-2-yl)-2-bromobenzenesulfonamide has a molecular weight of 335.27 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,3-dimethylbutan-2-yl)-2-bromobenzenesulfonamide is sourced from PubChem (CID 113284014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).