N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-3-iodobenzamide

C21H19IN2O3S — CID 98112403

IUPACN-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-3-iodobenzamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cccc(I)c3)cc2)c(C)c1
InChIInChI=1S/C21H19IN2O3S/c1-14-6-11-20(15(2)12-14)24-28(26,27)19-9-7-18(8-10-19)23-21(25)16-4-3-5-17(22)13-16/h3-13,24H,1-2H3,(H,23,25)
InChIKeyWSEGMSCANGVOME-UHFFFAOYSA-N
MW506.37 g/mol
LogP4.96
Rot. Bonds5

About N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-3-iodobenzamide

N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-3-iodobenzamide (PubChem CID 98112403) has the molecular formula C21H19IN2O3S and a molecular weight of 506.37 g/mol. Its IUPAC name is N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-3-iodobenzamide.

Molecular Properties

Compound NameN-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-3-iodobenzamide
PubChem CID98112403
Molecular FormulaC21H19IN2O3S
Molecular Weight506.37 g/mol
Exact Mass506.02
IUPAC NameN-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-3-iodobenzamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cccc(I)c3)cc2)c(C)c1
InChIInChI=1S/C21H19IN2O3S/c1-14-6-11-20(15(2)12-14)24-28(26,27)19-9-7-18(8-10-19)23-21(25)16-4-3-5-17(22)13-16/h3-13,24H,1-2H3,(H,23,25)
InChIKeyWSEGMSCANGVOME-UHFFFAOYSA-N
XLogP4.96
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.37
LogP ≤ 54.96
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

3-[(2,4-dimethylphenyl)sulfamoyl]-N-(4-methylphenyl)benzamide
CID 109065728
N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-3-iodo-4-methylbenzamide
CID 3410606
3-bromo-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-4-methylbenzamide
CID 5095159
N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-3-iodobenzamide
CID 100513322
3-bromo-N-[[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]carbamothioyl]benzamide
CID 54791735
3-[(2,4-dimethylphenyl)sulfamoyl]-N-(3-fluorophenyl)benzamide
CID 109065763
N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-3-iodobenzamide
CID 100513297
3-[(2,4-dimethylphenyl)sulfamoyl]-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-4-methylbenzamide
CID 126415722
N-[4-(tert-butylsulfamoyl)phenyl]-3-iodobenzamide
CID 1213253
methyl 3-[[3-methyl-4-[(4-methylphenyl)sulfonylamino]benzoyl]amino]benzoate
CID 19061768
N-(4-iodo-2-methylphenyl)-4-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 19062619
N-(4-methylphenyl)-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 3284384

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-3-iodobenzamide?
The IUPAC name of N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-3-iodobenzamide (CID 98112403) is N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-3-iodobenzamide.
What is the SMILES notation for N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-3-iodobenzamide?
The canonical SMILES for N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-3-iodobenzamide is Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cccc(I)c3)cc2)c(C)c1.
What is the InChIKey of N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-3-iodobenzamide?
The InChIKey is WSEGMSCANGVOME-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19IN2O3S/c1-14-6-11-20(15(2)12-14)24-28(26,27)19-9-7-18(8-10-19)23-21(25)16-4-3-5-17(22)13-16/h3-13,24H,1-2H3,(H,23,25).
What are the key properties of N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-3-iodobenzamide?
N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-3-iodobenzamide has a molecular weight of 506.37 g/mol, XLogP of 4.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-3-iodobenzamide is sourced from PubChem (CID 98112403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).