4-bromo-2-fluoro-N-(2-hydroxy-6-methoxyphenyl)benzenesulfonamide

C13H11BrFNO4S — CID 114764817

IUPAC4-bromo-2-fluoro-N-(2-hydroxy-6-methoxyphenyl)benzenesulfonamide
SMILESCOc1cccc(O)c1NS(=O)(=O)c1ccc(Br)cc1F
InChIInChI=1S/C13H11BrFNO4S/c1-20-11-4-2-3-10(17)13(11)16-21(18,19)12-6-5-8(14)7-9(12)15/h2-7,16-17H,1H3
InChIKeyJMLZIFXTHOKFHJ-UHFFFAOYSA-N
MW376.20 g/mol
LogP3.10
Rot. Bonds4

About 4-bromo-2-fluoro-N-(2-hydroxy-6-methoxyphenyl)benzenesulfonamide

4-bromo-2-fluoro-N-(2-hydroxy-6-methoxyphenyl)benzenesulfonamide (PubChem CID 114764817) has the molecular formula C13H11BrFNO4S and a molecular weight of 376.20 g/mol. Its IUPAC name is 4-bromo-2-fluoro-N-(2-hydroxy-6-methoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2-fluoro-N-(2-hydroxy-6-methoxyphenyl)benzenesulfonamide
PubChem CID114764817
Molecular FormulaC13H11BrFNO4S
Molecular Weight376.20 g/mol
Exact Mass374.96
IUPAC Name4-bromo-2-fluoro-N-(2-hydroxy-6-methoxyphenyl)benzenesulfonamide
SMILESCOc1cccc(O)c1NS(=O)(=O)c1ccc(Br)cc1F
InChIInChI=1S/C13H11BrFNO4S/c1-20-11-4-2-3-10(17)13(11)16-21(18,19)12-6-5-8(14)7-9(12)15/h2-7,16-17H,1H3
InChIKeyJMLZIFXTHOKFHJ-UHFFFAOYSA-N
XLogP3.10
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.20
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N-(2,6-difluorophenyl)-2-fluorobenzenesulfonamide
CID 116528169
4-bromo-2-fluoro-N-(3-hydroxyphenyl)benzenesulfonamide
CID 116527650
4-bromo-N-(3,5-dimethoxyphenyl)-2-fluorobenzenesulfonamide
CID 98000872
N-(5-bromo-2-methoxyphenyl)-2-fluorobenzenesulfonamide
CID 47310958
4-bromo-2-fluoro-N-(4-hydroxy-3-methylphenyl)benzenesulfonamide
CID 116527675
4-bromo-N-(2,6-dibromo-4-methylphenyl)-2-fluorobenzenesulfonamide
CID 116528134
4-bromo-2-fluoro-N-(3-fluorophenyl)benzenesulfonamide
CID 53240323
4-chloro-N-(2-hydroxy-6-methoxyphenyl)benzenesulfonamide
CID 114764808
4-bromo-N-(2-bromophenyl)-2-fluorobenzenesulfonamide
CID 97455644
4-bromo-N-(2,5-difluorophenyl)-2-fluorobenzenesulfonamide
CID 97455684
N-(4-bromo-2-fluorophenyl)-2,4-difluorobenzenesulfonamide
CID 8500760
4-bromo-N-(2,5-difluoro-4-methylphenyl)-2-fluorobenzenesulfonamide
CID 103587129

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-N-(2-hydroxy-6-methoxyphenyl)benzenesulfonamide?
The IUPAC name of 4-bromo-2-fluoro-N-(2-hydroxy-6-methoxyphenyl)benzenesulfonamide (CID 114764817) is 4-bromo-2-fluoro-N-(2-hydroxy-6-methoxyphenyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-2-fluoro-N-(2-hydroxy-6-methoxyphenyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-2-fluoro-N-(2-hydroxy-6-methoxyphenyl)benzenesulfonamide is COc1cccc(O)c1NS(=O)(=O)c1ccc(Br)cc1F.
What is the InChIKey of 4-bromo-2-fluoro-N-(2-hydroxy-6-methoxyphenyl)benzenesulfonamide?
The InChIKey is JMLZIFXTHOKFHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrFNO4S/c1-20-11-4-2-3-10(17)13(11)16-21(18,19)12-6-5-8(14)7-9(12)15/h2-7,16-17H,1H3.
What are the key properties of 4-bromo-2-fluoro-N-(2-hydroxy-6-methoxyphenyl)benzenesulfonamide?
4-bromo-2-fluoro-N-(2-hydroxy-6-methoxyphenyl)benzenesulfonamide has a molecular weight of 376.20 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-fluoro-N-(2-hydroxy-6-methoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 114764817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).