N-[4-(butan-2-ylsulfamoyl)phenyl]-2-iodobenzamide

C17H19IN2O3S — CID 3887794

IUPACN-[4-(butan-2-ylsulfamoyl)phenyl]-2-iodobenzamide
SMILESCCC(C)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2I)cc1
InChIInChI=1S/C17H19IN2O3S/c1-3-12(2)20-24(22,23)14-10-8-13(9-11-14)19-17(21)15-6-4-5-7-16(15)18/h4-12,20H,3H2,1-2H3,(H,19,21)
InChIKeyARJUNEMALNMZPJ-UHFFFAOYSA-N
MW458.32 g/mol
LogP3.62
Rot. Bonds6

About N-[4-(butan-2-ylsulfamoyl)phenyl]-2-iodobenzamide

N-[4-(butan-2-ylsulfamoyl)phenyl]-2-iodobenzamide (PubChem CID 3887794) has the molecular formula C17H19IN2O3S and a molecular weight of 458.32 g/mol. Its IUPAC name is N-[4-(butan-2-ylsulfamoyl)phenyl]-2-iodobenzamide.

Molecular Properties

Compound NameN-[4-(butan-2-ylsulfamoyl)phenyl]-2-iodobenzamide
PubChem CID3887794
Molecular FormulaC17H19IN2O3S
Molecular Weight458.32 g/mol
Exact Mass458.02
IUPAC NameN-[4-(butan-2-ylsulfamoyl)phenyl]-2-iodobenzamide
SMILESCCC(C)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2I)cc1
InChIInChI=1S/C17H19IN2O3S/c1-3-12(2)20-24(22,23)14-10-8-13(9-11-14)19-17(21)15-6-4-5-7-16(15)18/h4-12,20H,3H2,1-2H3,(H,19,21)
InChIKeyARJUNEMALNMZPJ-UHFFFAOYSA-N
XLogP3.62
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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'}

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Related Compounds

N-[4-[[(2R)-butan-2-yl]sulfamoyl]phenyl]-2-methylbenzamide
CID 40575887
4-[[(2R)-butan-2-yl]sulfamoyl]-N-phenylbenzamide
CID 9340944
N-[4-(butan-2-ylsulfamoyl)phenyl]acetamide
CID 3113473
N-[4-[[(2S)-butan-2-yl]sulfamoyl]phenyl]-4-phenylbenzamide
CID 2162899
N-[4-(hexylsulfamoyl)phenyl]-2-iodobenzamide
CID 4251063
N-[[4-(butan-2-ylsulfamoyl)phenyl]carbamothioyl]-2-methylbenzamide
CID 17160307
4-(butan-2-ylsulfamoyl)-N-(4-chlorophenyl)benzamide
CID 46529057
N-[4-(butan-2-ylsulfamoyl)phenyl]-4-(propanoylamino)benzamide
CID 4209013
N-butan-2-yl-2-iodobenzamide
CID 3344108
N-[4-[[(2S)-butan-2-yl]sulfamoyl]phenyl]butanamide
CID 51566560
2-iodo-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]benzamide
CID 1302991
N-[4-[[(2S)-butan-2-yl]sulfamoyl]phenyl]-3-fluorobenzamide
CID 7333137

Frequently Asked Questions

What is the IUPAC name of N-[4-(butan-2-ylsulfamoyl)phenyl]-2-iodobenzamide?
The IUPAC name of N-[4-(butan-2-ylsulfamoyl)phenyl]-2-iodobenzamide (CID 3887794) is N-[4-(butan-2-ylsulfamoyl)phenyl]-2-iodobenzamide.
What is the SMILES notation for N-[4-(butan-2-ylsulfamoyl)phenyl]-2-iodobenzamide?
The canonical SMILES for N-[4-(butan-2-ylsulfamoyl)phenyl]-2-iodobenzamide is CCC(C)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2I)cc1.
What is the InChIKey of N-[4-(butan-2-ylsulfamoyl)phenyl]-2-iodobenzamide?
The InChIKey is ARJUNEMALNMZPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19IN2O3S/c1-3-12(2)20-24(22,23)14-10-8-13(9-11-14)19-17(21)15-6-4-5-7-16(15)18/h4-12,20H,3H2,1-2H3,(H,19,21).
What are the key properties of N-[4-(butan-2-ylsulfamoyl)phenyl]-2-iodobenzamide?
N-[4-(butan-2-ylsulfamoyl)phenyl]-2-iodobenzamide has a molecular weight of 458.32 g/mol, XLogP of 3.62, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(butan-2-ylsulfamoyl)phenyl]-2-iodobenzamide is sourced from PubChem (CID 3887794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).