N-(4-chloro-2-iodophenyl)-1-methylimidazole-4-sulfonamide

C10H9ClIN3O2S — CID 103763973

IUPACN-(4-chloro-2-iodophenyl)-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)Nc2ccc(Cl)cc2I)c1
InChIInChI=1S/C10H9ClIN3O2S/c1-15-5-10(13-6-15)18(16,17)14-9-3-2-7(11)4-8(9)12/h2-6,14H,1H3
InChIKeyTXJLFYCOVRDKRS-UHFFFAOYSA-N
MW397.63 g/mol
LogP2.48
Rot. Bonds3

About N-(4-chloro-2-iodophenyl)-1-methylimidazole-4-sulfonamide

N-(4-chloro-2-iodophenyl)-1-methylimidazole-4-sulfonamide (PubChem CID 103763973) has the molecular formula C10H9ClIN3O2S and a molecular weight of 397.63 g/mol. Its IUPAC name is N-(4-chloro-2-iodophenyl)-1-methylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(4-chloro-2-iodophenyl)-1-methylimidazole-4-sulfonamide
PubChem CID103763973
Molecular FormulaC10H9ClIN3O2S
Molecular Weight397.63 g/mol
Exact Mass396.91
IUPAC NameN-(4-chloro-2-iodophenyl)-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)Nc2ccc(Cl)cc2I)c1
InChIInChI=1S/C10H9ClIN3O2S/c1-15-5-10(13-6-15)18(16,17)14-9-3-2-7(11)4-8(9)12/h2-6,14H,1H3
InChIKeyTXJLFYCOVRDKRS-UHFFFAOYSA-N
XLogP2.48
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.63
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(4-chloro-2-iodophenyl)-1-methylimidazole-4-sulfonamide 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

3-chloro-4-[(1-methylimidazol-4-yl)sulfonylamino]benzenesulfonyl chloride
CID 62375451
N-(4-amino-2-fluorophenyl)-1-methylimidazole-4-sulfonamide
CID 62375279
N-(4-bromo-2-hydroxyphenyl)-1-methylimidazole-4-sulfonamide
CID 71927149
N-(2-amino-4-bromophenyl)-1-methylimidazole-4-sulfonamide
CID 62374944
N-(4-chloro-2-iodophenyl)-2-(methylamino)pyrimidine-5-sulfonamide
CID 107630680
3-amino-N-(4-chloro-2-iodophenyl)-1-propylpyrazole-4-sulfonamide
CID 107624592
N-(2-hydroxy-5-methylphenyl)-1-methylimidazole-4-sulfonamide
CID 55068186
N-(4-fluorophenyl)-1-methylimidazole-4-sulfonamide
CID 46897919
N-(4-amino-3-chlorophenyl)-1-methylimidazole-4-sulfonamide
CID 55068329
N-(4-chloro-2-iodophenyl)-2-methyl-1H-imidazole-5-sulfonamide
CID 113257304
4-chloro-2-iodoaniline;N-(4-chloro-2-iodophenyl)pyridine-2-sulfonamide
CID 161099049
N-(4-amino-2-cyanophenyl)-1-methylimidazole-4-sulfonamide
CID 62374272

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-iodophenyl)-1-methylimidazole-4-sulfonamide?
The IUPAC name of N-(4-chloro-2-iodophenyl)-1-methylimidazole-4-sulfonamide (CID 103763973) is N-(4-chloro-2-iodophenyl)-1-methylimidazole-4-sulfonamide.
What is the SMILES notation for N-(4-chloro-2-iodophenyl)-1-methylimidazole-4-sulfonamide?
The canonical SMILES for N-(4-chloro-2-iodophenyl)-1-methylimidazole-4-sulfonamide is Cn1cnc(S(=O)(=O)Nc2ccc(Cl)cc2I)c1.
What is the InChIKey of N-(4-chloro-2-iodophenyl)-1-methylimidazole-4-sulfonamide?
The InChIKey is TXJLFYCOVRDKRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClIN3O2S/c1-15-5-10(13-6-15)18(16,17)14-9-3-2-7(11)4-8(9)12/h2-6,14H,1H3.
What are the key properties of N-(4-chloro-2-iodophenyl)-1-methylimidazole-4-sulfonamide?
N-(4-chloro-2-iodophenyl)-1-methylimidazole-4-sulfonamide has a molecular weight of 397.63 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-iodophenyl)-1-methylimidazole-4-sulfonamide is sourced from PubChem (CID 103763973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).