N-(1H-imidazol-2-yl)-4-iodobenzenesulfonamide

C9H8IN3O2S — CID 63564855

IUPACN-(1H-imidazol-2-yl)-4-iodobenzenesulfonamide
SMILESO=S(=O)(Nc1ncc[nH]1)c1ccc(I)cc1
InChIInChI=1S/C9H8IN3O2S/c10-7-1-3-8(4-2-7)16(14,15)13-9-11-5-6-12-9/h1-6H,(H2,11,12,13)
InChIKeyARKHEKDJGOLYFN-UHFFFAOYSA-N
MW349.15 g/mol
LogP1.82
Rot. Bonds3

About N-(1H-imidazol-2-yl)-4-iodobenzenesulfonamide

N-(1H-imidazol-2-yl)-4-iodobenzenesulfonamide (PubChem CID 63564855) has the molecular formula C9H8IN3O2S and a molecular weight of 349.15 g/mol. Its IUPAC name is N-(1H-imidazol-2-yl)-4-iodobenzenesulfonamide.

Molecular Properties

Compound NameN-(1H-imidazol-2-yl)-4-iodobenzenesulfonamide
PubChem CID63564855
Molecular FormulaC9H8IN3O2S
Molecular Weight349.15 g/mol
Exact Mass348.94
IUPAC NameN-(1H-imidazol-2-yl)-4-iodobenzenesulfonamide
SMILESO=S(=O)(Nc1ncc[nH]1)c1ccc(I)cc1
InChIInChI=1S/C9H8IN3O2S/c10-7-1-3-8(4-2-7)16(14,15)13-9-11-5-6-12-9/h1-6H,(H2,11,12,13)
InChIKeyARKHEKDJGOLYFN-UHFFFAOYSA-N
XLogP1.82
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.15
LogP ≤ 51.82
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

4-butan-2-yl-N-(1H-imidazol-2-yl)benzenesulfonamide
CID 55212177
2-[4-(1H-imidazol-2-ylsulfamoyl)phenyl]ethanethioamide
CID 79195804
3-amino-N-(1H-imidazol-2-yl)-4-methylbenzenesulfonamide
CID 63562930
2-fluoro-N-(1H-imidazol-2-yl)benzenesulfonamide
CID 63563905
2-chloro-5-(1H-imidazol-2-ylsulfamoyl)benzoic acid
CID 55212179
2-chloro-4-(1H-imidazol-2-ylsulfamoyl)benzoic acid
CID 107090081
N-(1H-imidazol-2-yl)-3-methyl-4-propan-2-yloxybenzenesulfonamide
CID 63562561
5-(1H-imidazol-2-ylsulfamoyl)-2-methoxybenzoic acid
CID 63565237
2-fluoro-N-(1H-imidazol-2-yl)-5-methylbenzenesulfonamide
CID 63562958
2-fluoro-N-(1H-imidazol-2-yl)-4-nitrobenzenesulfonamide
CID 63564848
N-(propan-2-ylsulfamoyl)-1H-imidazol-2-amine
CID 114810099
N-(1H-imidazol-2-yl)-3-propanoylbenzenesulfonamide
CID 63563189

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-yl)-4-iodobenzenesulfonamide?
The IUPAC name of N-(1H-imidazol-2-yl)-4-iodobenzenesulfonamide (CID 63564855) is N-(1H-imidazol-2-yl)-4-iodobenzenesulfonamide.
What is the SMILES notation for N-(1H-imidazol-2-yl)-4-iodobenzenesulfonamide?
The canonical SMILES for N-(1H-imidazol-2-yl)-4-iodobenzenesulfonamide is O=S(=O)(Nc1ncc[nH]1)c1ccc(I)cc1.
What is the InChIKey of N-(1H-imidazol-2-yl)-4-iodobenzenesulfonamide?
The InChIKey is ARKHEKDJGOLYFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8IN3O2S/c10-7-1-3-8(4-2-7)16(14,15)13-9-11-5-6-12-9/h1-6H,(H2,11,12,13).
What are the key properties of N-(1H-imidazol-2-yl)-4-iodobenzenesulfonamide?
N-(1H-imidazol-2-yl)-4-iodobenzenesulfonamide has a molecular weight of 349.15 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-yl)-4-iodobenzenesulfonamide is sourced from PubChem (CID 63564855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).