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

C13H11BrFNO3S — CID 116527675

IUPAC4-bromo-2-fluoro-N-(4-hydroxy-3-methylphenyl)benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc(Br)cc2F)ccc1O
InChIInChI=1S/C13H11BrFNO3S/c1-8-6-10(3-4-12(8)17)16-20(18,19)13-5-2-9(14)7-11(13)15/h2-7,16-17H,1H3
InChIKeyCNZYPFKKKSQDSB-UHFFFAOYSA-N
MW360.20 g/mol
LogP3.40
Rot. Bonds3

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

4-bromo-2-fluoro-N-(4-hydroxy-3-methylphenyl)benzenesulfonamide (PubChem CID 116527675) has the molecular formula C13H11BrFNO3S and a molecular weight of 360.20 g/mol. Its IUPAC name is 4-bromo-2-fluoro-N-(4-hydroxy-3-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2-fluoro-N-(4-hydroxy-3-methylphenyl)benzenesulfonamide
PubChem CID116527675
Molecular FormulaC13H11BrFNO3S
Molecular Weight360.20 g/mol
Exact Mass358.96
IUPAC Name4-bromo-2-fluoro-N-(4-hydroxy-3-methylphenyl)benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc(Br)cc2F)ccc1O
InChIInChI=1S/C13H11BrFNO3S/c1-8-6-10(3-4-12(8)17)16-20(18,19)13-5-2-9(14)7-11(13)15/h2-7,16-17H,1H3
InChIKeyCNZYPFKKKSQDSB-UHFFFAOYSA-N
XLogP3.40
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.20
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_B(41)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

4-bromo-N-(4-chloro-3-methylphenyl)-2-fluorobenzenesulfonamide
CID 97455698
4-bromo-2-fluoro-N-(3-iodo-4-methylphenyl)benzenesulfonamide
CID 116528398
2,5-dibromo-N-(3-fluoro-4-hydroxyphenyl)benzenesulfonamide
CID 64781653
4-bromo-2-fluoro-N-(3-hydroxyphenyl)benzenesulfonamide
CID 116527650
4-bromo-2-fluoro-N-(6-methyl-3-pyridinyl)benzenesulfonamide
CID 116528754
4-bromo-N-(2,5-difluoro-4-methylphenyl)-2-fluorobenzenesulfonamide
CID 103587129
2,5-dibromo-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide
CID 64794052
4-bromo-N-[4-(dimethylamino)phenyl]-2-fluorobenzenesulfonamide
CID 116528159
4-bromo-N-(3,5-dichloro-4-hydroxyphenyl)-2-fluorobenzenesulfonamide
CID 116527677
4-bromo-2-fluoro-N-(3-fluorophenyl)benzenesulfonamide
CID 53240323
4-bromo-2-chloro-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide
CID 64794050
4-bromo-N-(2,6-dibromo-4-methylphenyl)-2-fluorobenzenesulfonamide
CID 116528134

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-N-(4-hydroxy-3-methylphenyl)benzenesulfonamide?
The IUPAC name of 4-bromo-2-fluoro-N-(4-hydroxy-3-methylphenyl)benzenesulfonamide (CID 116527675) is 4-bromo-2-fluoro-N-(4-hydroxy-3-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-2-fluoro-N-(4-hydroxy-3-methylphenyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-2-fluoro-N-(4-hydroxy-3-methylphenyl)benzenesulfonamide is Cc1cc(NS(=O)(=O)c2ccc(Br)cc2F)ccc1O.
What is the InChIKey of 4-bromo-2-fluoro-N-(4-hydroxy-3-methylphenyl)benzenesulfonamide?
The InChIKey is CNZYPFKKKSQDSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrFNO3S/c1-8-6-10(3-4-12(8)17)16-20(18,19)13-5-2-9(14)7-11(13)15/h2-7,16-17H,1H3.
What are the key properties of 4-bromo-2-fluoro-N-(4-hydroxy-3-methylphenyl)benzenesulfonamide?
4-bromo-2-fluoro-N-(4-hydroxy-3-methylphenyl)benzenesulfonamide has a molecular weight of 360.20 g/mol, XLogP of 3.40, 3 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-(4-hydroxy-3-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 116527675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).