N-[4-(hexylsulfamoyl)phenyl]-2-iodobenzamide

C19H23IN2O3S — CID 4251063

IUPACN-[4-(hexylsulfamoyl)phenyl]-2-iodobenzamide
SMILESCCCCCCNS(=O)(=O)c1ccc(NC(=O)c2ccccc2I)cc1
InChIInChI=1S/C19H23IN2O3S/c1-2-3-4-7-14-21-26(24,25)16-12-10-15(11-13-16)22-19(23)17-8-5-6-9-18(17)20/h5-6,8-13,21H,2-4,7,14H2,1H3,(H,22,23)
InChIKeyAHCYDHBPUOPQPE-UHFFFAOYSA-N
MW486.38 g/mol
LogP4.40
Rot. Bonds9

About N-[4-(hexylsulfamoyl)phenyl]-2-iodobenzamide

N-[4-(hexylsulfamoyl)phenyl]-2-iodobenzamide (PubChem CID 4251063) has the molecular formula C19H23IN2O3S and a molecular weight of 486.38 g/mol. Its IUPAC name is N-[4-(hexylsulfamoyl)phenyl]-2-iodobenzamide.

Molecular Properties

Compound NameN-[4-(hexylsulfamoyl)phenyl]-2-iodobenzamide
PubChem CID4251063
Molecular FormulaC19H23IN2O3S
Molecular Weight486.38 g/mol
Exact Mass486.05
IUPAC NameN-[4-(hexylsulfamoyl)phenyl]-2-iodobenzamide
SMILESCCCCCCNS(=O)(=O)c1ccc(NC(=O)c2ccccc2I)cc1
InChIInChI=1S/C19H23IN2O3S/c1-2-3-4-7-14-21-26(24,25)16-12-10-15(11-13-16)22-19(23)17-8-5-6-9-18(17)20/h5-6,8-13,21H,2-4,7,14H2,1H3,(H,22,23)
InChIKeyAHCYDHBPUOPQPE-UHFFFAOYSA-N
XLogP4.40
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.38
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(butylsulfamoyl)phenyl]-2-methylbenzamide
CID 4278982
2-bromo-N-[4-(butylsulfamoyl)phenyl]benzamide
CID 2162853
N-[4-(butylsulfamoyl)phenyl]-2-[[2-[[4-(butylsulfamoyl)phenyl]carbamoyl]phenyl]diselanyl]benzamide
CID 10724138
N-[4-(butan-2-ylsulfamoyl)phenyl]-2-iodobenzamide
CID 3887794
N-[4-(propylsulfamoyl)phenyl]-2-propylsulfonylbenzamide
CID 17225015
2,2-dichloro-N-[4-(hexylsulfamoyl)phenyl]acetamide
CID 3354024
2,2,2-trichloro-N-[4-(hexylsulfamoyl)phenyl]acetamide
CID 4105692
N-tridecylbenzenesulfonamide
CID 3514704
N-[4-(hexylsulfamoyl)phenyl]-2-phenoxybutanamide
CID 5067707
3-[(4-fluorophenyl)sulfonylamino]-N-[4-(hexylsulfamoyl)phenyl]propanamide
CID 17192252
2-(4-chlorophenyl)-N-[4-(hexylsulfamoyl)phenyl]acetamide
CID 4143935
N-(2-chlorophenyl)-4-(pentylsulfamoyl)benzamide
CID 109061392

Frequently Asked Questions

What is the IUPAC name of N-[4-(hexylsulfamoyl)phenyl]-2-iodobenzamide?
The IUPAC name of N-[4-(hexylsulfamoyl)phenyl]-2-iodobenzamide (CID 4251063) is N-[4-(hexylsulfamoyl)phenyl]-2-iodobenzamide.
What is the SMILES notation for N-[4-(hexylsulfamoyl)phenyl]-2-iodobenzamide?
The canonical SMILES for N-[4-(hexylsulfamoyl)phenyl]-2-iodobenzamide is CCCCCCNS(=O)(=O)c1ccc(NC(=O)c2ccccc2I)cc1.
What is the InChIKey of N-[4-(hexylsulfamoyl)phenyl]-2-iodobenzamide?
The InChIKey is AHCYDHBPUOPQPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23IN2O3S/c1-2-3-4-7-14-21-26(24,25)16-12-10-15(11-13-16)22-19(23)17-8-5-6-9-18(17)20/h5-6,8-13,21H,2-4,7,14H2,1H3,(H,22,23).
What are the key properties of N-[4-(hexylsulfamoyl)phenyl]-2-iodobenzamide?
N-[4-(hexylsulfamoyl)phenyl]-2-iodobenzamide has a molecular weight of 486.38 g/mol, XLogP of 4.40, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(hexylsulfamoyl)phenyl]-2-iodobenzamide is sourced from PubChem (CID 4251063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).