2-amino-5-bromo-4-fluoro-N-(4-hydroxy-2-methylbutyl)benzenesulfonamide

C11H16BrFN2O3S — CID 106491894

IUPAC2-amino-5-bromo-4-fluoro-N-(4-hydroxy-2-methylbutyl)benzenesulfonamide
SMILESCC(CCO)CNS(=O)(=O)c1cc(Br)c(F)cc1N
InChIInChI=1S/C11H16BrFN2O3S/c1-7(2-3-16)6-15-19(17,18)11-4-8(12)9(13)5-10(11)14/h4-5,7,15-16H,2-3,6,14H2,1H3
InChIKeyFNKQPRBLUYVMAH-UHFFFAOYSA-N
MW355.23 g/mol
LogP1.47
Rot. Bonds6

About 2-amino-5-bromo-4-fluoro-N-(4-hydroxy-2-methylbutyl)benzenesulfonamide

2-amino-5-bromo-4-fluoro-N-(4-hydroxy-2-methylbutyl)benzenesulfonamide (PubChem CID 106491894) has the molecular formula C11H16BrFN2O3S and a molecular weight of 355.23 g/mol. Its IUPAC name is 2-amino-5-bromo-4-fluoro-N-(4-hydroxy-2-methylbutyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-5-bromo-4-fluoro-N-(4-hydroxy-2-methylbutyl)benzenesulfonamide
PubChem CID106491894
Molecular FormulaC11H16BrFN2O3S
Molecular Weight355.23 g/mol
Exact Mass354.00
IUPAC Name2-amino-5-bromo-4-fluoro-N-(4-hydroxy-2-methylbutyl)benzenesulfonamide
SMILESCC(CCO)CNS(=O)(=O)c1cc(Br)c(F)cc1N
InChIInChI=1S/C11H16BrFN2O3S/c1-7(2-3-16)6-15-19(17,18)11-4-8(12)9(13)5-10(11)14/h4-5,7,15-16H,2-3,6,14H2,1H3
InChIKeyFNKQPRBLUYVMAH-UHFFFAOYSA-N
XLogP1.47
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.23
LogP ≤ 51.47
H-Bond Donors ≤ 53
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-N-(4-hydroxy-2-methylbutyl)benzenesulfonamide
CID 66089868
2-amino-5-bromo-N-[2-(dimethylamino)propyl]-4-fluorobenzenesulfonamide
CID 106491580
2-[(2-amino-5-bromo-4-fluorophenyl)sulfonylamino]-N-propan-2-ylacetamide
CID 106491434
3-amino-4-fluoro-N-(4-hydroxy-2-methylbutyl)benzenesulfonamide
CID 66091028
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-amino-5-bromo-4-fluoro-N-[3-(2-hydroxyethoxy)propyl]benzenesulfonamide
CID 106308613
2-amino-5-bromo-4-fluoro-N-[2-(3-hydroxypropylsulfanyl)ethyl]benzenesulfonamide
CID 106308718
2-amino-5-bromo-N-(3-ethylpentan-2-yl)-4-fluorobenzenesulfonamide
CID 106491799
methyl 2-[(2-amino-5-bromo-4-fluorophenyl)sulfonylamino]propanoate
CID 106491644
3-amino-5-fluoro-N-(4-hydroxy-2-methylbutyl)benzenesulfonamide
CID 66092430
2-amino-5-bromo-4-fluoro-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide
CID 106492061

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-4-fluoro-N-(4-hydroxy-2-methylbutyl)benzenesulfonamide?
The IUPAC name of 2-amino-5-bromo-4-fluoro-N-(4-hydroxy-2-methylbutyl)benzenesulfonamide (CID 106491894) is 2-amino-5-bromo-4-fluoro-N-(4-hydroxy-2-methylbutyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-5-bromo-4-fluoro-N-(4-hydroxy-2-methylbutyl)benzenesulfonamide?
The canonical SMILES for 2-amino-5-bromo-4-fluoro-N-(4-hydroxy-2-methylbutyl)benzenesulfonamide is CC(CCO)CNS(=O)(=O)c1cc(Br)c(F)cc1N.
What is the InChIKey of 2-amino-5-bromo-4-fluoro-N-(4-hydroxy-2-methylbutyl)benzenesulfonamide?
The InChIKey is FNKQPRBLUYVMAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrFN2O3S/c1-7(2-3-16)6-15-19(17,18)11-4-8(12)9(13)5-10(11)14/h4-5,7,15-16H,2-3,6,14H2,1H3.
What are the key properties of 2-amino-5-bromo-4-fluoro-N-(4-hydroxy-2-methylbutyl)benzenesulfonamide?
2-amino-5-bromo-4-fluoro-N-(4-hydroxy-2-methylbutyl)benzenesulfonamide has a molecular weight of 355.23 g/mol, XLogP of 1.47, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-4-fluoro-N-(4-hydroxy-2-methylbutyl)benzenesulfonamide is sourced from PubChem (CID 106491894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).