4-bromo-2-fluoro-N-(3-hydroxy-2-methylpropyl)benzenesulfonamide

C10H13BrFNO3S — CID 116527730

IUPAC4-bromo-2-fluoro-N-(3-hydroxy-2-methylpropyl)benzenesulfonamide
SMILESCC(CO)CNS(=O)(=O)c1ccc(Br)cc1F
InChIInChI=1S/C10H13BrFNO3S/c1-7(6-14)5-13-17(15,16)10-3-2-8(11)4-9(10)12/h2-4,7,13-14H,5-6H2,1H3
InChIKeyLUVAJYFZZWWLLM-UHFFFAOYSA-N
MW326.19 g/mol
LogP1.49
Rot. Bonds5

About 4-bromo-2-fluoro-N-(3-hydroxy-2-methylpropyl)benzenesulfonamide

4-bromo-2-fluoro-N-(3-hydroxy-2-methylpropyl)benzenesulfonamide (PubChem CID 116527730) has the molecular formula C10H13BrFNO3S and a molecular weight of 326.19 g/mol. Its IUPAC name is 4-bromo-2-fluoro-N-(3-hydroxy-2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2-fluoro-N-(3-hydroxy-2-methylpropyl)benzenesulfonamide
PubChem CID116527730
Molecular FormulaC10H13BrFNO3S
Molecular Weight326.19 g/mol
Exact Mass324.98
IUPAC Name4-bromo-2-fluoro-N-(3-hydroxy-2-methylpropyl)benzenesulfonamide
SMILESCC(CO)CNS(=O)(=O)c1ccc(Br)cc1F
InChIInChI=1S/C10H13BrFNO3S/c1-7(6-14)5-13-17(15,16)10-3-2-8(11)4-9(10)12/h2-4,7,13-14H,5-6H2,1H3
InChIKeyLUVAJYFZZWWLLM-UHFFFAOYSA-N
XLogP1.49
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.19
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-2-fluoro-N-(5-hydroxy-4-methylpentyl)benzenesulfonamide
CID 104919371
4-bromo-2-fluoro-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide
CID 102907724
4-bromo-N-(2,2-difluoroethyl)-2-fluorobenzenesulfonamide
CID 116528761
4-bromo-N-ethyl-2-fluorobenzenesulfonamide
CID 116527445
methyl 2-bromo-3-[(4-bromo-2-fluorophenyl)sulfonylamino]propanoate
CID 103493671
4-bromo-N-(2-bromo-3-ethylpentyl)-2-fluorobenzenesulfonamide
CID 106288659
4-bromo-N-(2-chloropentyl)-2-fluorobenzenesulfonamide
CID 116530073
4-bromo-2-fluoro-N-(2-piperidin-1-ylpropyl)benzenesulfonamide
CID 116528435
4-amino-2-bromo-N-(3-hydroxy-2-methylpropyl)benzenesulfonamide
CID 65036761
2-fluoro-N-(3-hydroxy-2-methylpropyl)-5-methylsulfonylbenzenesulfonamide
CID 65034606
4-bromo-2-fluoro-N-propylbenzenesulfonamide
CID 116527446
4-bromo-N-[2-(dimethylamino)ethyl]-2-fluorobenzenesulfonamide
CID 86796943

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-N-(3-hydroxy-2-methylpropyl)benzenesulfonamide?
The IUPAC name of 4-bromo-2-fluoro-N-(3-hydroxy-2-methylpropyl)benzenesulfonamide (CID 116527730) is 4-bromo-2-fluoro-N-(3-hydroxy-2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-2-fluoro-N-(3-hydroxy-2-methylpropyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-2-fluoro-N-(3-hydroxy-2-methylpropyl)benzenesulfonamide is CC(CO)CNS(=O)(=O)c1ccc(Br)cc1F.
What is the InChIKey of 4-bromo-2-fluoro-N-(3-hydroxy-2-methylpropyl)benzenesulfonamide?
The InChIKey is LUVAJYFZZWWLLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrFNO3S/c1-7(6-14)5-13-17(15,16)10-3-2-8(11)4-9(10)12/h2-4,7,13-14H,5-6H2,1H3.
What are the key properties of 4-bromo-2-fluoro-N-(3-hydroxy-2-methylpropyl)benzenesulfonamide?
4-bromo-2-fluoro-N-(3-hydroxy-2-methylpropyl)benzenesulfonamide has a molecular weight of 326.19 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-fluoro-N-(3-hydroxy-2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 116527730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).