4-fluoro-2-iodo-N-[4-(propan-2-ylsulfamoyl)phenyl]benzamide

C16H16FIN2O3S — CID 38920434

IUPAC4-fluoro-2-iodo-N-[4-(propan-2-ylsulfamoyl)phenyl]benzamide
SMILESCC(C)NS(=O)(=O)c1ccc(NC(=O)c2ccc(F)cc2I)cc1
InChIInChI=1S/C16H16FIN2O3S/c1-10(2)20-24(22,23)13-6-4-12(5-7-13)19-16(21)14-8-3-11(17)9-15(14)18/h3-10,20H,1-2H3,(H,19,21)
InChIKeyQJDGQBXDUIUTNI-UHFFFAOYSA-N
MW462.28 g/mol
LogP3.37
Rot. Bonds5

About 4-fluoro-2-iodo-N-[4-(propan-2-ylsulfamoyl)phenyl]benzamide

4-fluoro-2-iodo-N-[4-(propan-2-ylsulfamoyl)phenyl]benzamide (PubChem CID 38920434) has the molecular formula C16H16FIN2O3S and a molecular weight of 462.28 g/mol. Its IUPAC name is 4-fluoro-2-iodo-N-[4-(propan-2-ylsulfamoyl)phenyl]benzamide.

Molecular Properties

Compound Name4-fluoro-2-iodo-N-[4-(propan-2-ylsulfamoyl)phenyl]benzamide
PubChem CID38920434
Molecular FormulaC16H16FIN2O3S
Molecular Weight462.28 g/mol
Exact Mass461.99
IUPAC Name4-fluoro-2-iodo-N-[4-(propan-2-ylsulfamoyl)phenyl]benzamide
SMILESCC(C)NS(=O)(=O)c1ccc(NC(=O)c2ccc(F)cc2I)cc1
InChIInChI=1S/C16H16FIN2O3S/c1-10(2)20-24(22,23)13-6-4-12(5-7-13)19-16(21)14-8-3-11(17)9-15(14)18/h3-10,20H,1-2H3,(H,19,21)
InChIKeyQJDGQBXDUIUTNI-UHFFFAOYSA-N
XLogP3.37
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.28
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-fluoro-2-iodo-N-[4-(propan-2-ylsulfamoyl)phenyl]benzamide 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

2-bromo-4-fluoro-N-[4-(propan-2-ylsulfamoyl)phenyl]benzamide
CID 9188165
4-fluoro-2-iodo-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 38887662
N-[4-(butan-2-ylsulfamoyl)phenyl]-2-iodobenzamide
CID 3887794
N-(4-acetamidophenyl)-4-(propan-2-ylsulfamoyl)benzamide
CID 27648936
S-[4-[(4-fluoro-2-iodobenzoyl)amino]phenyl] N,N-dimethylcarbamothioate
CID 56579739
(2R)-2-(4-fluorophenyl)sulfanyl-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 7553964
N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-2,4-difluorobenzamide
CID 24636502
2-phenoxy-N-[4-(propan-2-ylsulfamoyl)phenyl]benzamide
CID 8752850
4-chloro-N-[4-(propan-2-ylsulfamoyl)phenyl]benzamide
CID 4924513
N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-2,5-difluorobenzamide
CID 55376849
N-(4-tert-butylphenyl)-2-chloro-5-(propan-2-ylsulfamoyl)benzamide
CID 34756542
2-(4-fluorophenyl)sulfanyl-N-[4-(propan-2-ylsulfamoyl)phenyl]acetamide
CID 9219341

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-iodo-N-[4-(propan-2-ylsulfamoyl)phenyl]benzamide?
The IUPAC name of 4-fluoro-2-iodo-N-[4-(propan-2-ylsulfamoyl)phenyl]benzamide (CID 38920434) is 4-fluoro-2-iodo-N-[4-(propan-2-ylsulfamoyl)phenyl]benzamide.
What is the SMILES notation for 4-fluoro-2-iodo-N-[4-(propan-2-ylsulfamoyl)phenyl]benzamide?
The canonical SMILES for 4-fluoro-2-iodo-N-[4-(propan-2-ylsulfamoyl)phenyl]benzamide is CC(C)NS(=O)(=O)c1ccc(NC(=O)c2ccc(F)cc2I)cc1.
What is the InChIKey of 4-fluoro-2-iodo-N-[4-(propan-2-ylsulfamoyl)phenyl]benzamide?
The InChIKey is QJDGQBXDUIUTNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FIN2O3S/c1-10(2)20-24(22,23)13-6-4-12(5-7-13)19-16(21)14-8-3-11(17)9-15(14)18/h3-10,20H,1-2H3,(H,19,21).
What are the key properties of 4-fluoro-2-iodo-N-[4-(propan-2-ylsulfamoyl)phenyl]benzamide?
4-fluoro-2-iodo-N-[4-(propan-2-ylsulfamoyl)phenyl]benzamide has a molecular weight of 462.28 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-iodo-N-[4-(propan-2-ylsulfamoyl)phenyl]benzamide is sourced from PubChem (CID 38920434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).