N-(5-fluoro-2-sulfamoylphenyl)-4-iodobenzamide

C13H10FIN2O3S — CID 61130930

IUPACN-(5-fluoro-2-sulfamoylphenyl)-4-iodobenzamide
SMILESNS(=O)(=O)c1ccc(F)cc1NC(=O)c1ccc(I)cc1
InChIInChI=1S/C13H10FIN2O3S/c14-9-3-6-12(21(16,19)20)11(7-9)17-13(18)8-1-4-10(15)5-2-8/h1-7H,(H,17,18)(H2,16,19,20)
InChIKeyBRLXUOPIMMCPFV-UHFFFAOYSA-N
MW420.20 g/mol
LogP2.33
Rot. Bonds3

About N-(5-fluoro-2-sulfamoylphenyl)-4-iodobenzamide

N-(5-fluoro-2-sulfamoylphenyl)-4-iodobenzamide (PubChem CID 61130930) has the molecular formula C13H10FIN2O3S and a molecular weight of 420.20 g/mol. Its IUPAC name is N-(5-fluoro-2-sulfamoylphenyl)-4-iodobenzamide.

Molecular Properties

Compound NameN-(5-fluoro-2-sulfamoylphenyl)-4-iodobenzamide
PubChem CID61130930
Molecular FormulaC13H10FIN2O3S
Molecular Weight420.20 g/mol
Exact Mass419.94
IUPAC NameN-(5-fluoro-2-sulfamoylphenyl)-4-iodobenzamide
SMILESNS(=O)(=O)c1ccc(F)cc1NC(=O)c1ccc(I)cc1
InChIInChI=1S/C13H10FIN2O3S/c14-9-3-6-12(21(16,19)20)11(7-9)17-13(18)8-1-4-10(15)5-2-8/h1-7H,(H,17,18)(H2,16,19,20)
InChIKeyBRLXUOPIMMCPFV-UHFFFAOYSA-N
XLogP2.33
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.20
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-fluoro-2-iodophenyl)-4-iodobenzamide
CID 79767050
4-bromo-N-(5-fluoro-2-sulfamoylphenyl)-1H-pyrrole-2-carboxamide
CID 61130923
N-(5-fluoro-2-sulfamoylphenyl)thiadiazole-5-carboxamide
CID 65215733
N-(4-fluoro-2-methylphenyl)-4-iodobenzamide
CID 7980558
4-iodo-N-(2-methyl-3-sulfamoylphenyl)benzamide
CID 61034623
4-fluoro-N-(2-methyl-3-sulfamoylphenyl)benzamide
CID 61036384
methyl 4-fluoro-2-[(4-iodobenzoyl)amino]benzoate
CID 60787444
N-(5-fluoro-2-sulfamoylphenyl)butanamide
CID 61130555
4-[2-(4-fluorophenyl)ethynyl]-N-(2-sulfamoylphenyl)benzamide
CID 12018921
N-(2-cyano-4-fluorophenyl)-4-iodobenzamide
CID 79952957
N-(5-fluoro-2-sulfamoylphenyl)-3-methylimidazole-4-carboxamide
CID 103511933
N-(5-fluoro-2-sulfamoylphenyl)hexanamide
CID 61131111

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-sulfamoylphenyl)-4-iodobenzamide?
The IUPAC name of N-(5-fluoro-2-sulfamoylphenyl)-4-iodobenzamide (CID 61130930) is N-(5-fluoro-2-sulfamoylphenyl)-4-iodobenzamide.
What is the SMILES notation for N-(5-fluoro-2-sulfamoylphenyl)-4-iodobenzamide?
The canonical SMILES for N-(5-fluoro-2-sulfamoylphenyl)-4-iodobenzamide is NS(=O)(=O)c1ccc(F)cc1NC(=O)c1ccc(I)cc1.
What is the InChIKey of N-(5-fluoro-2-sulfamoylphenyl)-4-iodobenzamide?
The InChIKey is BRLXUOPIMMCPFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FIN2O3S/c14-9-3-6-12(21(16,19)20)11(7-9)17-13(18)8-1-4-10(15)5-2-8/h1-7H,(H,17,18)(H2,16,19,20).
What are the key properties of N-(5-fluoro-2-sulfamoylphenyl)-4-iodobenzamide?
N-(5-fluoro-2-sulfamoylphenyl)-4-iodobenzamide has a molecular weight of 420.20 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-sulfamoylphenyl)-4-iodobenzamide is sourced from PubChem (CID 61130930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).