2-amino-4-bromo-N-pentan-2-ylbenzenesulfonamide

C11H17BrN2O2S — CID 43258160

IUPAC2-amino-4-bromo-N-pentan-2-ylbenzenesulfonamide
SMILESCCCC(C)NS(=O)(=O)c1ccc(Br)cc1N
InChIInChI=1S/C11H17BrN2O2S/c1-3-4-8(2)14-17(15,16)11-6-5-9(12)7-10(11)13/h5-8,14H,3-4,13H2,1-2H3
InChIKeyLYNFKBAESZDUPV-UHFFFAOYSA-N
MW321.24 g/mol
LogP2.50
Rot. Bonds5

About 2-amino-4-bromo-N-pentan-2-ylbenzenesulfonamide

2-amino-4-bromo-N-pentan-2-ylbenzenesulfonamide (PubChem CID 43258160) has the molecular formula C11H17BrN2O2S and a molecular weight of 321.24 g/mol. Its IUPAC name is 2-amino-4-bromo-N-pentan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-bromo-N-pentan-2-ylbenzenesulfonamide
PubChem CID43258160
Molecular FormulaC11H17BrN2O2S
Molecular Weight321.24 g/mol
Exact Mass320.02
IUPAC Name2-amino-4-bromo-N-pentan-2-ylbenzenesulfonamide
SMILESCCCC(C)NS(=O)(=O)c1ccc(Br)cc1N
InChIInChI=1S/C11H17BrN2O2S/c1-3-4-8(2)14-17(15,16)11-6-5-9(12)7-10(11)13/h5-8,14H,3-4,13H2,1-2H3
InChIKeyLYNFKBAESZDUPV-UHFFFAOYSA-N
XLogP2.50
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.24
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-bromo-N-(1-methylsulfonylpropan-2-yl)benzenesulfonamide
CID 64629578
2-amino-4-chloro-N-pentan-2-ylbenzenesulfonamide
CID 43107543
2-amino-4-bromo-N-(1-cyclopropylpropan-2-yl)benzenesulfonamide
CID 63988907
5-bromo-2-methoxy-N-[(2S)-pentan-2-yl]benzenesulfonamide
CID 92510421
3-bromo-N-[(2S)-pentan-2-yl]benzenesulfonamide
CID 92510419
2-amino-4-bromo-N-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide
CID 79247565
4-bromo-2-fluoro-N-hexan-2-ylbenzenesulfonamide
CID 116528564
2-amino-4-bromo-N-(2-methylbutyl)benzenesulfonamide
CID 62700584
2-amino-5-chloro-N-pentan-2-ylbenzenesulfonamide
CID 54888470
3-amino-5-bromo-N-hexan-2-yl-2-methylbenzenesulfonamide
CID 114379495
2-amino-4-bromo-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide
CID 61479287
2-bromo-N-pentan-2-ylbenzenesulfonamide
CID 3753439

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-bromo-N-pentan-2-ylbenzenesulfonamide?
The IUPAC name of 2-amino-4-bromo-N-pentan-2-ylbenzenesulfonamide (CID 43258160) is 2-amino-4-bromo-N-pentan-2-ylbenzenesulfonamide.
What is the SMILES notation for 2-amino-4-bromo-N-pentan-2-ylbenzenesulfonamide?
The canonical SMILES for 2-amino-4-bromo-N-pentan-2-ylbenzenesulfonamide is CCCC(C)NS(=O)(=O)c1ccc(Br)cc1N.
What is the InChIKey of 2-amino-4-bromo-N-pentan-2-ylbenzenesulfonamide?
The InChIKey is LYNFKBAESZDUPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2O2S/c1-3-4-8(2)14-17(15,16)11-6-5-9(12)7-10(11)13/h5-8,14H,3-4,13H2,1-2H3.
What are the key properties of 2-amino-4-bromo-N-pentan-2-ylbenzenesulfonamide?
2-amino-4-bromo-N-pentan-2-ylbenzenesulfonamide has a molecular weight of 321.24 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-bromo-N-pentan-2-ylbenzenesulfonamide is sourced from PubChem (CID 43258160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).