2-amino-5-bromo-4-fluoro-N-(1-methoxypropan-2-yl)benzenesulfonamide

C10H14BrFN2O3S — CID 106491310

IUPAC2-amino-5-bromo-4-fluoro-N-(1-methoxypropan-2-yl)benzenesulfonamide
SMILESCOCC(C)NS(=O)(=O)c1cc(Br)c(F)cc1N
InChIInChI=1S/C10H14BrFN2O3S/c1-6(5-17-2)14-18(15,16)10-3-7(11)8(12)4-9(10)13/h3-4,6,14H,5,13H2,1-2H3
InChIKeyZZBPNDXESQNMFW-UHFFFAOYSA-N
MW341.20 g/mol
LogP1.48
Rot. Bonds5

About 2-amino-5-bromo-4-fluoro-N-(1-methoxypropan-2-yl)benzenesulfonamide

2-amino-5-bromo-4-fluoro-N-(1-methoxypropan-2-yl)benzenesulfonamide (PubChem CID 106491310) has the molecular formula C10H14BrFN2O3S and a molecular weight of 341.20 g/mol. Its IUPAC name is 2-amino-5-bromo-4-fluoro-N-(1-methoxypropan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-5-bromo-4-fluoro-N-(1-methoxypropan-2-yl)benzenesulfonamide
PubChem CID106491310
Molecular FormulaC10H14BrFN2O3S
Molecular Weight341.20 g/mol
Exact Mass339.99
IUPAC Name2-amino-5-bromo-4-fluoro-N-(1-methoxypropan-2-yl)benzenesulfonamide
SMILESCOCC(C)NS(=O)(=O)c1cc(Br)c(F)cc1N
InChIInChI=1S/C10H14BrFN2O3S/c1-6(5-17-2)14-18(15,16)10-3-7(11)8(12)4-9(10)13/h3-4,6,14H,5,13H2,1-2H3
InChIKeyZZBPNDXESQNMFW-UHFFFAOYSA-N
XLogP1.48
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.20
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-5-bromo-4-fluoro-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide
CID 106492061
methyl 2-[(2-amino-5-bromo-4-fluorophenyl)sulfonylamino]propanoate
CID 106491644
2-amino-5-bromo-N-(3-ethylpentan-2-yl)-4-fluorobenzenesulfonamide
CID 106491799
2-amino-5-bromo-4-fluoro-N-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide
CID 106491907
2-amino-5-bromo-N-(1,3-dihydroxypropan-2-yl)-4-fluorobenzenesulfonamide
CID 106491866
2-[(2-amino-5-bromo-4-fluorophenyl)sulfonylamino]-N-ethyl-N-methylpropanamide
CID 106492195
2-amino-5-bromo-4-fluoro-N-[1-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide
CID 106491683
2-amino-5-bromo-N-[2-(dimethylamino)propyl]-4-fluorobenzenesulfonamide
CID 106491580
3-amino-5-fluoro-4-methoxy-N-(1-methoxypropan-2-yl)benzenesulfonamide
CID 114624949
2-amino-5-bromo-4-fluoro-N-[1-(furan-2-yl)ethyl]benzenesulfonamide
CID 106491416
2-[(2-amino-5-bromo-4-fluorophenyl)sulfonylamino]-N-propan-2-ylacetamide
CID 106491434
2-amino-5-bromo-4-fluoro-N-(4-hydroxy-2-methylbutyl)benzenesulfonamide
CID 106491894

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-4-fluoro-N-(1-methoxypropan-2-yl)benzenesulfonamide?
The IUPAC name of 2-amino-5-bromo-4-fluoro-N-(1-methoxypropan-2-yl)benzenesulfonamide (CID 106491310) is 2-amino-5-bromo-4-fluoro-N-(1-methoxypropan-2-yl)benzenesulfonamide.
What is the SMILES notation for 2-amino-5-bromo-4-fluoro-N-(1-methoxypropan-2-yl)benzenesulfonamide?
The canonical SMILES for 2-amino-5-bromo-4-fluoro-N-(1-methoxypropan-2-yl)benzenesulfonamide is COCC(C)NS(=O)(=O)c1cc(Br)c(F)cc1N.
What is the InChIKey of 2-amino-5-bromo-4-fluoro-N-(1-methoxypropan-2-yl)benzenesulfonamide?
The InChIKey is ZZBPNDXESQNMFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrFN2O3S/c1-6(5-17-2)14-18(15,16)10-3-7(11)8(12)4-9(10)13/h3-4,6,14H,5,13H2,1-2H3.
What are the key properties of 2-amino-5-bromo-4-fluoro-N-(1-methoxypropan-2-yl)benzenesulfonamide?
2-amino-5-bromo-4-fluoro-N-(1-methoxypropan-2-yl)benzenesulfonamide has a molecular weight of 341.20 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-4-fluoro-N-(1-methoxypropan-2-yl)benzenesulfonamide is sourced from PubChem (CID 106491310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).