N-(4-bromophenyl)-4-iodobenzenesulfonamide

C12H9BrINO2S — CID 990484

IUPACN-(4-bromophenyl)-4-iodobenzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Br)cc1)c1ccc(I)cc1
InChIInChI=1S/C12H9BrINO2S/c13-9-1-5-11(6-2-9)15-18(16,17)12-7-3-10(14)4-8-12/h1-8,15H
InChIKeyXIJHKFFLPCSOHD-UHFFFAOYSA-N
MW438.08 g/mol
LogP3.85
Rot. Bonds3

About N-(4-bromophenyl)-4-iodobenzenesulfonamide

N-(4-bromophenyl)-4-iodobenzenesulfonamide (PubChem CID 990484) has the molecular formula C12H9BrINO2S and a molecular weight of 438.08 g/mol. Its IUPAC name is N-(4-bromophenyl)-4-iodobenzenesulfonamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-4-iodobenzenesulfonamide
PubChem CID990484
Molecular FormulaC12H9BrINO2S
Molecular Weight438.08 g/mol
Exact Mass436.86
IUPAC NameN-(4-bromophenyl)-4-iodobenzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Br)cc1)c1ccc(I)cc1
InChIInChI=1S/C12H9BrINO2S/c13-9-1-5-11(6-2-9)15-18(16,17)12-7-3-10(14)4-8-12/h1-8,15H
InChIKeyXIJHKFFLPCSOHD-UHFFFAOYSA-N
XLogP3.85
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.08
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(4-bromophenyl)-4-iodobenzenesulfonamide 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-hydroxyphenyl)benzenesulfonamide
CID 875203
4-bromo-N-[4-(bromomethyl)phenyl]benzenesulfonamide
CID 113271541
4-(bromomethyl)-N-(4-bromophenyl)benzenesulfonamide
CID 65480206
5-bromo-N-[4-[(4-bromophenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide
CID 22193739
4-bromo-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 2212078
4-ethyl-N-(4-iodophenyl)benzenesulfonamide
CID 1305687
4-[(4-iodophenyl)sulfonylamino]benzoate
CID 7312166
4-bromo-N-[4-(propylamino)phenyl]benzenesulfonamide
CID 112979761
4-bromo-N-(4-piperidin-1-ylsulfonylphenyl)benzenesulfonamide
CID 1274641
N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-3-iodobenzamide
CID 100513322
N-(4-iodophenyl)-4-(propylamino)benzenesulfonamide
CID 62142672
4-bromo-N-(4-bromo-3-chlorophenyl)benzenesulfonamide
CID 19683886

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-4-iodobenzenesulfonamide?
The IUPAC name of N-(4-bromophenyl)-4-iodobenzenesulfonamide (CID 990484) is N-(4-bromophenyl)-4-iodobenzenesulfonamide.
What is the SMILES notation for N-(4-bromophenyl)-4-iodobenzenesulfonamide?
The canonical SMILES for N-(4-bromophenyl)-4-iodobenzenesulfonamide is O=S(=O)(Nc1ccc(Br)cc1)c1ccc(I)cc1.
What is the InChIKey of N-(4-bromophenyl)-4-iodobenzenesulfonamide?
The InChIKey is XIJHKFFLPCSOHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrINO2S/c13-9-1-5-11(6-2-9)15-18(16,17)12-7-3-10(14)4-8-12/h1-8,15H.
What are the key properties of N-(4-bromophenyl)-4-iodobenzenesulfonamide?
N-(4-bromophenyl)-4-iodobenzenesulfonamide has a molecular weight of 438.08 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-4-iodobenzenesulfonamide is sourced from PubChem (CID 990484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).