N-(4-chloro-2-iodophenyl)-2-methyl-1H-imidazole-5-sulfonamide

C10H9ClIN3O2S — CID 113257304

IUPACN-(4-chloro-2-iodophenyl)-2-methyl-1H-imidazole-5-sulfonamide
SMILESCc1ncc(S(=O)(=O)Nc2ccc(Cl)cc2I)[nH]1
InChIInChI=1S/C10H9ClIN3O2S/c1-6-13-5-10(14-6)18(16,17)15-9-3-2-7(11)4-8(9)12/h2-5,15H,1H3,(H,13,14)
InChIKeyRHHDOCFKEBHYOJ-UHFFFAOYSA-N
MW397.63 g/mol
LogP2.78
Rot. Bonds3

About N-(4-chloro-2-iodophenyl)-2-methyl-1H-imidazole-5-sulfonamide

N-(4-chloro-2-iodophenyl)-2-methyl-1H-imidazole-5-sulfonamide (PubChem CID 113257304) has the molecular formula C10H9ClIN3O2S and a molecular weight of 397.63 g/mol. Its IUPAC name is N-(4-chloro-2-iodophenyl)-2-methyl-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound NameN-(4-chloro-2-iodophenyl)-2-methyl-1H-imidazole-5-sulfonamide
PubChem CID113257304
Molecular FormulaC10H9ClIN3O2S
Molecular Weight397.63 g/mol
Exact Mass396.91
IUPAC NameN-(4-chloro-2-iodophenyl)-2-methyl-1H-imidazole-5-sulfonamide
SMILESCc1ncc(S(=O)(=O)Nc2ccc(Cl)cc2I)[nH]1
InChIInChI=1S/C10H9ClIN3O2S/c1-6-13-5-10(14-6)18(16,17)15-9-3-2-7(11)4-8(9)12/h2-5,15H,1H3,(H,13,14)
InChIKeyRHHDOCFKEBHYOJ-UHFFFAOYSA-N
XLogP2.78
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.63
LogP ≤ 52.78
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-(5-chloro-2-methylphenyl)-2-methyl-1H-imidazole-5-sulfonamide
CID 62997807
N-(5-chloro-2-propoxyphenyl)-2-methyl-1H-imidazole-5-sulfonamide
CID 62999325
N-(4-chloro-2-iodophenyl)-2-(methylamino)pyrimidine-5-sulfonamide
CID 107630680
3-chloro-N'-hydroxy-4-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]benzenecarboximidamide
CID 107810033
N-(4-fluorophenyl)-2-methyl-1H-imidazole-5-sulfonamide
CID 62998345
N-(3-chloro-4-hydroxyphenyl)-2-methyl-1H-imidazole-5-sulfonamide
CID 64786558
N-(4-chloro-2-iodophenyl)-1-methylimidazole-4-sulfonamide
CID 103763973
2-methyl-N-(2,4,6-trimethylphenyl)-1H-imidazole-5-sulfonamide
CID 62999451
4-amino-N-(4-chloro-2-iodophenyl)-3-methylbenzenesulfonamide
CID 107624554
N-(2-hydroxy-5-methylsulfonylphenyl)-2-methyl-1H-imidazole-5-sulfonamide
CID 81422171
N-[5-bromo-2-(dimethylamino)phenyl]-2-methyl-1H-imidazole-5-sulfonamide
CID 62998550
methyl 2-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]benzoate
CID 63000517

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-iodophenyl)-2-methyl-1H-imidazole-5-sulfonamide?
The IUPAC name of N-(4-chloro-2-iodophenyl)-2-methyl-1H-imidazole-5-sulfonamide (CID 113257304) is N-(4-chloro-2-iodophenyl)-2-methyl-1H-imidazole-5-sulfonamide.
What is the SMILES notation for N-(4-chloro-2-iodophenyl)-2-methyl-1H-imidazole-5-sulfonamide?
The canonical SMILES for N-(4-chloro-2-iodophenyl)-2-methyl-1H-imidazole-5-sulfonamide is Cc1ncc(S(=O)(=O)Nc2ccc(Cl)cc2I)[nH]1.
What is the InChIKey of N-(4-chloro-2-iodophenyl)-2-methyl-1H-imidazole-5-sulfonamide?
The InChIKey is RHHDOCFKEBHYOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClIN3O2S/c1-6-13-5-10(14-6)18(16,17)15-9-3-2-7(11)4-8(9)12/h2-5,15H,1H3,(H,13,14).
What are the key properties of N-(4-chloro-2-iodophenyl)-2-methyl-1H-imidazole-5-sulfonamide?
N-(4-chloro-2-iodophenyl)-2-methyl-1H-imidazole-5-sulfonamide has a molecular weight of 397.63 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-iodophenyl)-2-methyl-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 113257304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).