5-(diethylsulfamoyl)-2-fluoro-N-(2-iodophenyl)benzamide

C17H18FIN2O3S — CID 26087674

IUPAC5-(diethylsulfamoyl)-2-fluoro-N-(2-iodophenyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)Nc2ccccc2I)c1
InChIInChI=1S/C17H18FIN2O3S/c1-3-21(4-2)25(23,24)12-9-10-14(18)13(11-12)17(22)20-16-8-6-5-7-15(16)19/h5-11H,3-4H2,1-2H3,(H,20,22)
InChIKeyLOGWTLYKTJBTNO-UHFFFAOYSA-N
MW476.31 g/mol
LogP3.71
Rot. Bonds6

About 5-(diethylsulfamoyl)-2-fluoro-N-(2-iodophenyl)benzamide

5-(diethylsulfamoyl)-2-fluoro-N-(2-iodophenyl)benzamide (PubChem CID 26087674) has the molecular formula C17H18FIN2O3S and a molecular weight of 476.31 g/mol. Its IUPAC name is 5-(diethylsulfamoyl)-2-fluoro-N-(2-iodophenyl)benzamide.

Molecular Properties

Compound Name5-(diethylsulfamoyl)-2-fluoro-N-(2-iodophenyl)benzamide
PubChem CID26087674
Molecular FormulaC17H18FIN2O3S
Molecular Weight476.31 g/mol
Exact Mass476.01
IUPAC Name5-(diethylsulfamoyl)-2-fluoro-N-(2-iodophenyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)Nc2ccccc2I)c1
InChIInChI=1S/C17H18FIN2O3S/c1-3-21(4-2)25(23,24)12-9-10-14(18)13(11-12)17(22)20-16-8-6-5-7-15(16)19/h5-11H,3-4H2,1-2H3,(H,20,22)
InChIKeyLOGWTLYKTJBTNO-UHFFFAOYSA-N
XLogP3.71
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.31
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(diethylsulfamoyl)-N-(2,6-difluorophenyl)-2-fluorobenzamide
CID 51158899
5-(diethylsulfamoyl)-N-(2,4-dimethylphenyl)-2-fluorobenzamide
CID 7733082
5-(dimethylsulfamoyl)-N-(2-ethylphenyl)-2-fluorobenzamide
CID 8839430
N-[5-chloro-2-(dimethylamino)phenyl]-5-(diethylsulfamoyl)-2-fluorobenzamide
CID 55336223
5-(diethylsulfamoyl)-2-fluoro-N-(2,4,6-trimethylphenyl)benzamide
CID 26085905
5-(diethylsulfamoyl)-N-[2,6-di(propan-2-yl)phenyl]-2-fluorobenzamide
CID 26102432
5-[benzyl(ethyl)sulfamoyl]-N-(4-ethylphenyl)-2-fluorobenzamide
CID 5153096
5-(diethylsulfamoyl)-2-fluoro-N-(3-methoxyphenyl)benzamide
CID 26914540
5-(diethylsulfamoyl)-N-[3-(dimethylcarbamoyl)phenyl]-2-fluorobenzamide
CID 29331887
2-chloro-5-(dimethylsulfamoyl)-N-(2-iodophenyl)benzamide
CID 3413626
5-(diethylsulfamoyl)-2-fluoro-N-[(2R)-2-phenylpropyl]benzamide
CID 9301737
5-(diethylsulfamoyl)-2-fluoro-N-(2-methyl-6-propan-2-ylphenyl)benzamide
CID 26218803

Frequently Asked Questions

What is the IUPAC name of 5-(diethylsulfamoyl)-2-fluoro-N-(2-iodophenyl)benzamide?
The IUPAC name of 5-(diethylsulfamoyl)-2-fluoro-N-(2-iodophenyl)benzamide (CID 26087674) is 5-(diethylsulfamoyl)-2-fluoro-N-(2-iodophenyl)benzamide.
What is the SMILES notation for 5-(diethylsulfamoyl)-2-fluoro-N-(2-iodophenyl)benzamide?
The canonical SMILES for 5-(diethylsulfamoyl)-2-fluoro-N-(2-iodophenyl)benzamide is CCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)Nc2ccccc2I)c1.
What is the InChIKey of 5-(diethylsulfamoyl)-2-fluoro-N-(2-iodophenyl)benzamide?
The InChIKey is LOGWTLYKTJBTNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FIN2O3S/c1-3-21(4-2)25(23,24)12-9-10-14(18)13(11-12)17(22)20-16-8-6-5-7-15(16)19/h5-11H,3-4H2,1-2H3,(H,20,22).
What are the key properties of 5-(diethylsulfamoyl)-2-fluoro-N-(2-iodophenyl)benzamide?
5-(diethylsulfamoyl)-2-fluoro-N-(2-iodophenyl)benzamide has a molecular weight of 476.31 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylsulfamoyl)-2-fluoro-N-(2-iodophenyl)benzamide is sourced from PubChem (CID 26087674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).