2-amino-4-bromo-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide

C12H15BrN4O2S — CID 61479287

IUPAC2-amino-4-bromo-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide
SMILESCC(Cn1ccnc1)NS(=O)(=O)c1ccc(Br)cc1N
InChIInChI=1S/C12H15BrN4O2S/c1-9(7-17-5-4-15-8-17)16-20(18,19)12-3-2-10(13)6-11(12)14/h2-6,8-9,16H,7,14H2,1H3
InChIKeyQJOGKLKGISKRGF-UHFFFAOYSA-N
MW359.25 g/mol
LogP1.59
Rot. Bonds5

About 2-amino-4-bromo-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide

2-amino-4-bromo-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide (PubChem CID 61479287) has the molecular formula C12H15BrN4O2S and a molecular weight of 359.25 g/mol. Its IUPAC name is 2-amino-4-bromo-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-bromo-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide
PubChem CID61479287
Molecular FormulaC12H15BrN4O2S
Molecular Weight359.25 g/mol
Exact Mass358.01
IUPAC Name2-amino-4-bromo-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide
SMILESCC(Cn1ccnc1)NS(=O)(=O)c1ccc(Br)cc1N
InChIInChI=1S/C12H15BrN4O2S/c1-9(7-17-5-4-15-8-17)16-20(18,19)12-3-2-10(13)6-11(12)14/h2-6,8-9,16H,7,14H2,1H3
InChIKeyQJOGKLKGISKRGF-UHFFFAOYSA-N
XLogP1.59
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.25
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-amino-4-bromo-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide 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-amino-2-chloro-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide
CID 61479552
5-amino-2-chloro-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide
CID 61479509
3-amino-4-fluoro-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide
CID 61479595
4-amino-N-(1-imidazol-1-ylpropan-2-yl)-3-methoxybenzenesulfonamide
CID 81440827
2-amino-4-bromo-N-(1-methylsulfonylpropan-2-yl)benzenesulfonamide
CID 64629578
2-hydroxy-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide
CID 81242155
2-amino-4-bromo-N-pentan-2-ylbenzenesulfonamide
CID 43258160
4-(1-aminoethyl)-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide
CID 61480807
3-amino-5-fluoro-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide
CID 63322492
N-(1-imidazol-1-ylpropan-2-yl)-2-(methylamino)benzenesulfonamide
CID 62152924
1-[2-(sulfamoylamino)propyl]imidazole
CID 112686375
3-(1-imidazol-1-ylpropan-2-ylsulfamoyl)pyridine-2-carbothioamide
CID 106596888

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-bromo-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide?
The IUPAC name of 2-amino-4-bromo-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide (CID 61479287) is 2-amino-4-bromo-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide.
What is the SMILES notation for 2-amino-4-bromo-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide?
The canonical SMILES for 2-amino-4-bromo-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide is CC(Cn1ccnc1)NS(=O)(=O)c1ccc(Br)cc1N.
What is the InChIKey of 2-amino-4-bromo-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide?
The InChIKey is QJOGKLKGISKRGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN4O2S/c1-9(7-17-5-4-15-8-17)16-20(18,19)12-3-2-10(13)6-11(12)14/h2-6,8-9,16H,7,14H2,1H3.
What are the key properties of 2-amino-4-bromo-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide?
2-amino-4-bromo-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide has a molecular weight of 359.25 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-bromo-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide is sourced from PubChem (CID 61479287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).