2-amino-5-bromo-4-fluoro-N-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide

C11H16BrFN2O3S — CID 106491907

IUPAC2-amino-5-bromo-4-fluoro-N-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide
SMILESCC(C)C(CO)NS(=O)(=O)c1cc(Br)c(F)cc1N
InChIInChI=1S/C11H16BrFN2O3S/c1-6(2)10(5-16)15-19(17,18)11-3-7(12)8(13)4-9(11)14/h3-4,6,10,15-16H,5,14H2,1-2H3
InChIKeyRQAVKTYALJCKMX-UHFFFAOYSA-N
MW355.23 g/mol
LogP1.47
Rot. Bonds5

About 2-amino-5-bromo-4-fluoro-N-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide

2-amino-5-bromo-4-fluoro-N-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide (PubChem CID 106491907) 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-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-5-bromo-4-fluoro-N-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide
PubChem CID106491907
Molecular FormulaC11H16BrFN2O3S
Molecular Weight355.23 g/mol
Exact Mass354.00
IUPAC Name2-amino-5-bromo-4-fluoro-N-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide
SMILESCC(C)C(CO)NS(=O)(=O)c1cc(Br)c(F)cc1N
InChIInChI=1S/C11H16BrFN2O3S/c1-6(2)10(5-16)15-19(17,18)11-3-7(12)8(13)4-9(11)14/h3-4,6,10,15-16H,5,14H2,1-2H3
InChIKeyRQAVKTYALJCKMX-UHFFFAOYSA-N
XLogP1.47
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
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

5-amino-4-bromo-2-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzenesulfonamide
CID 104889698
2-amino-5-bromo-N-(1,3-dihydroxypropan-2-yl)-4-fluorobenzenesulfonamide
CID 106491866
2-amino-5-bromo-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzenesulfonamide
CID 79248581
2-amino-4-bromo-N-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide
CID 79247565
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
2-amino-5-bromo-4-fluoro-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide
CID 106492061
5-bromo-2-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzenesulfonamide
CID 71911226
2-amino-5-bromo-4-fluoro-N-(1-methoxypropan-2-yl)benzenesulfonamide
CID 106491310
4-amino-2-bromo-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzenesulfonamide
CID 79248195
5-amino-2-bromo-N-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide
CID 79247723
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-hydroxy-3-methylbutan-2-yl)benzenesulfonamide?
The IUPAC name of 2-amino-5-bromo-4-fluoro-N-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide (CID 106491907) is 2-amino-5-bromo-4-fluoro-N-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide.
What is the SMILES notation for 2-amino-5-bromo-4-fluoro-N-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide?
The canonical SMILES for 2-amino-5-bromo-4-fluoro-N-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide is CC(C)C(CO)NS(=O)(=O)c1cc(Br)c(F)cc1N.
What is the InChIKey of 2-amino-5-bromo-4-fluoro-N-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide?
The InChIKey is RQAVKTYALJCKMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrFN2O3S/c1-6(2)10(5-16)15-19(17,18)11-3-7(12)8(13)4-9(11)14/h3-4,6,10,15-16H,5,14H2,1-2H3.
What are the key properties of 2-amino-5-bromo-4-fluoro-N-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide?
2-amino-5-bromo-4-fluoro-N-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide has a molecular weight of 355.23 g/mol, XLogP of 1.47, 5 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-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide is sourced from PubChem (CID 106491907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).