N-[4-(tert-butylsulfamoyl)phenyl]-3-iodobenzamide

C17H19IN2O3S — CID 1213253

IUPACN-[4-(tert-butylsulfamoyl)phenyl]-3-iodobenzamide
SMILESCC(C)(C)NS(=O)(=O)c1ccc(NC(=O)c2cccc(I)c2)cc1
InChIInChI=1S/C17H19IN2O3S/c1-17(2,3)20-24(22,23)15-9-7-14(8-10-15)19-16(21)12-5-4-6-13(18)11-12/h4-11,20H,1-3H3,(H,19,21)
InChIKeyMUYSVMVKBYIRPZ-UHFFFAOYSA-N
MW458.32 g/mol
LogP3.62
Rot. Bonds4

About N-[4-(tert-butylsulfamoyl)phenyl]-3-iodobenzamide

N-[4-(tert-butylsulfamoyl)phenyl]-3-iodobenzamide (PubChem CID 1213253) has the molecular formula C17H19IN2O3S and a molecular weight of 458.32 g/mol. Its IUPAC name is N-[4-(tert-butylsulfamoyl)phenyl]-3-iodobenzamide.

Molecular Properties

Compound NameN-[4-(tert-butylsulfamoyl)phenyl]-3-iodobenzamide
PubChem CID1213253
Molecular FormulaC17H19IN2O3S
Molecular Weight458.32 g/mol
Exact Mass458.02
IUPAC NameN-[4-(tert-butylsulfamoyl)phenyl]-3-iodobenzamide
SMILESCC(C)(C)NS(=O)(=O)c1ccc(NC(=O)c2cccc(I)c2)cc1
InChIInChI=1S/C17H19IN2O3S/c1-17(2,3)20-24(22,23)15-9-7-14(8-10-15)19-16(21)12-5-4-6-13(18)11-12/h4-11,20H,1-3H3,(H,19,21)
InChIKeyMUYSVMVKBYIRPZ-UHFFFAOYSA-N
XLogP3.62
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.32
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[4-(tert-butylsulfamoyl)phenyl]-3-iodobenzamide 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

N-[4-(tert-butylsulfamoyl)phenyl]-3-methoxybenzamide
CID 3387359
N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-3-iodobenzamide
CID 100513322
N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-3-iodobenzamide
CID 98112403
3-iodo-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]benzamide
CID 26747065
N-[4-(dipropylsulfamoyl)phenyl]-3-iodobenzamide
CID 1294575
3-[[4-(tert-butylsulfamoyl)benzoyl]amino]-N,N-dimethylbenzamide
CID 32627137
3-iodo-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide
CID 1150968
3-acetamido-N-[4-[(4-iodophenyl)sulfamoyl]phenyl]benzamide
CID 2114640
N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-3-iodobenzamide
CID 100513297
3-iodo-N-(4-propan-2-ylphenyl)benzamide
CID 1154174
3-(tert-butylsulfamoyl)-N-(3,5-dimethoxyphenyl)benzamide
CID 9096794
[4-[[4-(tert-butylsulfamoyl)phenyl]carbamoyl]phenyl] acetate
CID 1311332

Frequently Asked Questions

What is the IUPAC name of N-[4-(tert-butylsulfamoyl)phenyl]-3-iodobenzamide?
The IUPAC name of N-[4-(tert-butylsulfamoyl)phenyl]-3-iodobenzamide (CID 1213253) is N-[4-(tert-butylsulfamoyl)phenyl]-3-iodobenzamide.
What is the SMILES notation for N-[4-(tert-butylsulfamoyl)phenyl]-3-iodobenzamide?
The canonical SMILES for N-[4-(tert-butylsulfamoyl)phenyl]-3-iodobenzamide is CC(C)(C)NS(=O)(=O)c1ccc(NC(=O)c2cccc(I)c2)cc1.
What is the InChIKey of N-[4-(tert-butylsulfamoyl)phenyl]-3-iodobenzamide?
The InChIKey is MUYSVMVKBYIRPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19IN2O3S/c1-17(2,3)20-24(22,23)15-9-7-14(8-10-15)19-16(21)12-5-4-6-13(18)11-12/h4-11,20H,1-3H3,(H,19,21).
What are the key properties of N-[4-(tert-butylsulfamoyl)phenyl]-3-iodobenzamide?
N-[4-(tert-butylsulfamoyl)phenyl]-3-iodobenzamide has a molecular weight of 458.32 g/mol, XLogP of 3.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(tert-butylsulfamoyl)phenyl]-3-iodobenzamide is sourced from PubChem (CID 1213253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).