5-(aminomethyl)-2-bromo-N-pentan-2-ylbenzenesulfonamide

C12H19BrN2O2S — CID 106046490

IUPAC5-(aminomethyl)-2-bromo-N-pentan-2-ylbenzenesulfonamide
SMILESCCCC(C)NS(=O)(=O)c1cc(CN)ccc1Br
InChIInChI=1S/C12H19BrN2O2S/c1-3-4-9(2)15-18(16,17)12-7-10(8-14)5-6-11(12)13/h5-7,9,15H,3-4,8,14H2,1-2H3
InChIKeyGRRGLDVEXWNYQJ-UHFFFAOYSA-N
MW335.27 g/mol
LogP2.37
Rot. Bonds6

About 5-(aminomethyl)-2-bromo-N-pentan-2-ylbenzenesulfonamide

5-(aminomethyl)-2-bromo-N-pentan-2-ylbenzenesulfonamide (PubChem CID 106046490) has the molecular formula C12H19BrN2O2S and a molecular weight of 335.27 g/mol. Its IUPAC name is 5-(aminomethyl)-2-bromo-N-pentan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-2-bromo-N-pentan-2-ylbenzenesulfonamide
PubChem CID106046490
Molecular FormulaC12H19BrN2O2S
Molecular Weight335.27 g/mol
Exact Mass334.04
IUPAC Name5-(aminomethyl)-2-bromo-N-pentan-2-ylbenzenesulfonamide
SMILESCCCC(C)NS(=O)(=O)c1cc(CN)ccc1Br
InChIInChI=1S/C12H19BrN2O2S/c1-3-4-9(2)15-18(16,17)12-7-10(8-14)5-6-11(12)13/h5-7,9,15H,3-4,8,14H2,1-2H3
InChIKeyGRRGLDVEXWNYQJ-UHFFFAOYSA-N
XLogP2.37
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.27
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-(aminomethyl)-2-bromo-N-pentan-2-ylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(aminomethyl)-2-fluoro-N-pentan-2-ylbenzenesulfonamide
CID 114140395
5-(aminomethyl)-2-bromo-N-(3,3-dimethylbutan-2-yl)benzenesulfonamide
CID 106079153
2-bromo-N-pentan-2-ylbenzenesulfonamide
CID 3753439
5-(aminomethyl)-2-ethyl-N-(4-methylsulfanylbutan-2-yl)benzenesulfonamide
CID 106080192
2-amino-4-bromo-N-pentan-2-ylbenzenesulfonamide
CID 43258160
2-bromo-N-(1-methylsulfanylpropan-2-yl)-5-(propylaminomethyl)benzenesulfonamide
CID 106079818
5-(aminomethyl)-2-bromo-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 106077537
5-(aminomethyl)-N-(4-ethylsulfanylbutan-2-yl)-2-fluorobenzenesulfonamide
CID 106084609
2-bromo-5-(hydroxymethyl)-N-octan-4-ylbenzenesulfonamide
CID 106022484
5-(aminomethyl)-2-bromo-N-[(4-methylcyclohexyl)methyl]benzenesulfonamide
CID 106062370
4-amino-2,6-dibromo-N-pentan-2-ylbenzenesulfonamide
CID 43258159
5-amino-2-bromo-N-(4-methoxybutan-2-yl)benzenesulfonamide
CID 65206608

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-bromo-N-pentan-2-ylbenzenesulfonamide?
The IUPAC name of 5-(aminomethyl)-2-bromo-N-pentan-2-ylbenzenesulfonamide (CID 106046490) is 5-(aminomethyl)-2-bromo-N-pentan-2-ylbenzenesulfonamide.
What is the SMILES notation for 5-(aminomethyl)-2-bromo-N-pentan-2-ylbenzenesulfonamide?
The canonical SMILES for 5-(aminomethyl)-2-bromo-N-pentan-2-ylbenzenesulfonamide is CCCC(C)NS(=O)(=O)c1cc(CN)ccc1Br.
What is the InChIKey of 5-(aminomethyl)-2-bromo-N-pentan-2-ylbenzenesulfonamide?
The InChIKey is GRRGLDVEXWNYQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2O2S/c1-3-4-9(2)15-18(16,17)12-7-10(8-14)5-6-11(12)13/h5-7,9,15H,3-4,8,14H2,1-2H3.
What are the key properties of 5-(aminomethyl)-2-bromo-N-pentan-2-ylbenzenesulfonamide?
5-(aminomethyl)-2-bromo-N-pentan-2-ylbenzenesulfonamide has a molecular weight of 335.27 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2-bromo-N-pentan-2-ylbenzenesulfonamide is sourced from PubChem (CID 106046490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).