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

C13H10BrFINO2S — CID 116528398

IUPAC4-bromo-2-fluoro-N-(3-iodo-4-methylphenyl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(Br)cc2F)cc1I
InChIInChI=1S/C13H10BrFINO2S/c1-8-2-4-10(7-12(8)16)17-20(18,19)13-5-3-9(14)6-11(13)15/h2-7,17H,1H3
InChIKeyQKBSDLGKKMMQQG-UHFFFAOYSA-N
MW470.10 g/mol
LogP4.30
Rot. Bonds3

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

4-bromo-2-fluoro-N-(3-iodo-4-methylphenyl)benzenesulfonamide (PubChem CID 116528398) has the molecular formula C13H10BrFINO2S and a molecular weight of 470.10 g/mol. Its IUPAC name is 4-bromo-2-fluoro-N-(3-iodo-4-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2-fluoro-N-(3-iodo-4-methylphenyl)benzenesulfonamide
PubChem CID116528398
Molecular FormulaC13H10BrFINO2S
Molecular Weight470.10 g/mol
Exact Mass468.86
IUPAC Name4-bromo-2-fluoro-N-(3-iodo-4-methylphenyl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(Br)cc2F)cc1I
InChIInChI=1S/C13H10BrFINO2S/c1-8-2-4-10(7-12(8)16)17-20(18,19)13-5-3-9(14)6-11(13)15/h2-7,17H,1H3
InChIKeyQKBSDLGKKMMQQG-UHFFFAOYSA-N
XLogP4.30
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.10
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-bromo-2-fluoro-N-(3-iodo-4-methylphenyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-N-(4-chloro-3-methylphenyl)-2-fluorobenzenesulfonamide
CID 97455698
4-bromo-2-fluoro-N-(4-hydroxy-3-methylphenyl)benzenesulfonamide
CID 116527675
4-bromo-N-[4-(dimethylamino)phenyl]-2-fluorobenzenesulfonamide
CID 116528159
4-bromo-2-fluoro-N-(6-methyl-3-pyridinyl)benzenesulfonamide
CID 116528754
4-bromo-N-(2,5-difluoro-4-methylphenyl)-2-fluorobenzenesulfonamide
CID 103587129
4-bromo-2-fluoro-N-(3-fluorophenyl)benzenesulfonamide
CID 53240323
2,4-dibromo-N-(3-bromo-4-methylphenyl)benzenesulfonamide
CID 63421623
4-bromo-N-(2,6-dibromo-4-methylphenyl)-2-fluorobenzenesulfonamide
CID 116528134
4-bromo-2-fluoro-N-(3-hydroxyphenyl)benzenesulfonamide
CID 116527650
N-(4-amino-2,5-dimethylphenyl)-4-bromo-2-fluorobenzenesulfonamide
CID 103144770
4-bromo-N-(3,5-dimethoxyphenyl)-2-fluorobenzenesulfonamide
CID 98000872
4-bromo-N-(2,6-difluorophenyl)-2-fluorobenzenesulfonamide
CID 116528169

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-N-(3-iodo-4-methylphenyl)benzenesulfonamide?
The IUPAC name of 4-bromo-2-fluoro-N-(3-iodo-4-methylphenyl)benzenesulfonamide (CID 116528398) is 4-bromo-2-fluoro-N-(3-iodo-4-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-2-fluoro-N-(3-iodo-4-methylphenyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-2-fluoro-N-(3-iodo-4-methylphenyl)benzenesulfonamide is Cc1ccc(NS(=O)(=O)c2ccc(Br)cc2F)cc1I.
What is the InChIKey of 4-bromo-2-fluoro-N-(3-iodo-4-methylphenyl)benzenesulfonamide?
The InChIKey is QKBSDLGKKMMQQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrFINO2S/c1-8-2-4-10(7-12(8)16)17-20(18,19)13-5-3-9(14)6-11(13)15/h2-7,17H,1H3.
What are the key properties of 4-bromo-2-fluoro-N-(3-iodo-4-methylphenyl)benzenesulfonamide?
4-bromo-2-fluoro-N-(3-iodo-4-methylphenyl)benzenesulfonamide has a molecular weight of 470.10 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-fluoro-N-(3-iodo-4-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 116528398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).