2-amino-5-bromo-N-(3-ethylpentan-2-yl)-4-fluorobenzenesulfonamide

C13H20BrFN2O2S — CID 106491799

IUPAC2-amino-5-bromo-N-(3-ethylpentan-2-yl)-4-fluorobenzenesulfonamide
SMILESCCC(CC)C(C)NS(=O)(=O)c1cc(Br)c(F)cc1N
InChIInChI=1S/C13H20BrFN2O2S/c1-4-9(5-2)8(3)17-20(18,19)13-6-10(14)11(15)7-12(13)16/h6-9,17H,4-5,16H2,1-3H3
InChIKeyWZFPQYVOKZMDLC-UHFFFAOYSA-N
MW367.28 g/mol
LogP3.27
Rot. Bonds6

About 2-amino-5-bromo-N-(3-ethylpentan-2-yl)-4-fluorobenzenesulfonamide

2-amino-5-bromo-N-(3-ethylpentan-2-yl)-4-fluorobenzenesulfonamide (PubChem CID 106491799) has the molecular formula C13H20BrFN2O2S and a molecular weight of 367.28 g/mol. Its IUPAC name is 2-amino-5-bromo-N-(3-ethylpentan-2-yl)-4-fluorobenzenesulfonamide.

Molecular Properties

Compound Name2-amino-5-bromo-N-(3-ethylpentan-2-yl)-4-fluorobenzenesulfonamide
PubChem CID106491799
Molecular FormulaC13H20BrFN2O2S
Molecular Weight367.28 g/mol
Exact Mass366.04
IUPAC Name2-amino-5-bromo-N-(3-ethylpentan-2-yl)-4-fluorobenzenesulfonamide
SMILESCCC(CC)C(C)NS(=O)(=O)c1cc(Br)c(F)cc1N
InChIInChI=1S/C13H20BrFN2O2S/c1-4-9(5-2)8(3)17-20(18,19)13-6-10(14)11(15)7-12(13)16/h6-9,17H,4-5,16H2,1-3H3
InChIKeyWZFPQYVOKZMDLC-UHFFFAOYSA-N
XLogP3.27
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.28
LogP ≤ 53.27
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

methyl 2-[(2-amino-5-bromo-4-fluorophenyl)sulfonylamino]propanoate
CID 106491644
2-amino-5-bromo-4-fluoro-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide
CID 106492061
2-amino-N-(3-ethylpentan-2-yl)-4,5-dimethylbenzenesulfonamide
CID 63842393
2-[(2-amino-5-bromo-4-fluorophenyl)sulfonylamino]-N-ethyl-N-methylpropanamide
CID 106492195
2-amino-5-bromo-4-fluoro-N-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide
CID 106491907
2-amino-5-bromo-4-fluoro-N-(1-methoxypropan-2-yl)benzenesulfonamide
CID 106491310
2-amino-5-bromo-N-(1,3-dihydroxypropan-2-yl)-4-fluorobenzenesulfonamide
CID 106491866
2-amino-5-bromo-N-[2-(dimethylamino)propyl]-4-fluorobenzenesulfonamide
CID 106491580
4-bromo-1-N-(3-ethylpentan-2-yl)-5-fluorobenzene-1,2-diamine
CID 66112513
2-amino-5-bromo-4-fluoro-N-[1-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide
CID 106491683
3-amino-N-(3-ethylpentan-2-yl)-4-fluorobenzenesulfonamide
CID 63841716
2-amino-5-bromo-4-fluoro-N-[1-(furan-2-yl)ethyl]benzenesulfonamide
CID 106491416

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-N-(3-ethylpentan-2-yl)-4-fluorobenzenesulfonamide?
The IUPAC name of 2-amino-5-bromo-N-(3-ethylpentan-2-yl)-4-fluorobenzenesulfonamide (CID 106491799) is 2-amino-5-bromo-N-(3-ethylpentan-2-yl)-4-fluorobenzenesulfonamide.
What is the SMILES notation for 2-amino-5-bromo-N-(3-ethylpentan-2-yl)-4-fluorobenzenesulfonamide?
The canonical SMILES for 2-amino-5-bromo-N-(3-ethylpentan-2-yl)-4-fluorobenzenesulfonamide is CCC(CC)C(C)NS(=O)(=O)c1cc(Br)c(F)cc1N.
What is the InChIKey of 2-amino-5-bromo-N-(3-ethylpentan-2-yl)-4-fluorobenzenesulfonamide?
The InChIKey is WZFPQYVOKZMDLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrFN2O2S/c1-4-9(5-2)8(3)17-20(18,19)13-6-10(14)11(15)7-12(13)16/h6-9,17H,4-5,16H2,1-3H3.
What are the key properties of 2-amino-5-bromo-N-(3-ethylpentan-2-yl)-4-fluorobenzenesulfonamide?
2-amino-5-bromo-N-(3-ethylpentan-2-yl)-4-fluorobenzenesulfonamide has a molecular weight of 367.28 g/mol, XLogP of 3.27, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-N-(3-ethylpentan-2-yl)-4-fluorobenzenesulfonamide is sourced from PubChem (CID 106491799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).