N-(2-iodophenyl)-2-methyl-5-nitrobenzenesulfonamide

C13H11IN2O4S — CID 2944627

IUPACN-(2-iodophenyl)-2-methyl-5-nitrobenzenesulfonamide
SMILESCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1I
InChIInChI=1S/C13H11IN2O4S/c1-9-6-7-10(16(17)18)8-13(9)21(19,20)15-12-5-3-2-4-11(12)14/h2-8,15H,1H3
InChIKeyOJZGUVHFXXZZPJ-UHFFFAOYSA-N
MW418.21 g/mol
LogP3.31
Rot. Bonds4

About N-(2-iodophenyl)-2-methyl-5-nitrobenzenesulfonamide

N-(2-iodophenyl)-2-methyl-5-nitrobenzenesulfonamide (PubChem CID 2944627) has the molecular formula C13H11IN2O4S and a molecular weight of 418.21 g/mol. Its IUPAC name is N-(2-iodophenyl)-2-methyl-5-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-iodophenyl)-2-methyl-5-nitrobenzenesulfonamide
PubChem CID2944627
Molecular FormulaC13H11IN2O4S
Molecular Weight418.21 g/mol
Exact Mass417.95
IUPAC NameN-(2-iodophenyl)-2-methyl-5-nitrobenzenesulfonamide
SMILESCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1I
InChIInChI=1S/C13H11IN2O4S/c1-9-6-7-10(16(17)18)8-13(9)21(19,20)15-12-5-3-2-4-11(12)14/h2-8,15H,1H3
InChIKeyOJZGUVHFXXZZPJ-UHFFFAOYSA-N
XLogP3.31
TPSA89.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.21
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(2-iodophenyl)-2-methyl-5-nitrobenzenesulfonamide 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

N-(2-aminophenyl)-2-methyl-5-nitrobenzenesulfonamide
CID 43605579
N-(2-fluorophenyl)-2-methyl-5-nitrobenzenesulfonamide
CID 7107842
2-methyl-5-nitro-N-(2-phenylphenyl)benzenesulfonamide
CID 2961153
N-(4-iodophenyl)-2-methyl-5-nitrobenzenesulfonamide
CID 2920673
N-(2,5-dimethylphenyl)-2-methyl-5-nitrobenzenesulfonamide
CID 7573611
1,1-dimethyl-3-[2-[(2-methyl-5-nitrophenyl)sulfonylamino]phenyl]urea
CID 55811259
2-methyl-5-nitro-N-[4-(phenylsulfamoyl)phenyl]benzenesulfonamide
CID 21173747
N-(2-iodophenyl)-4-methyl-3-nitrobenzenesulfonamide
CID 563423
N-(4-chloro-2-methylphenyl)-2-methyl-5-nitrobenzenesulfonamide
CID 21368314
N-(2-iodophenyl)-2-methyl-5-(methylaminomethyl)benzenesulfonamide
CID 106030183
2-methyl-N-(2-methylquinolin-8-yl)-5-nitrobenzenesulfonamide
CID 16759952
N-(4-fluorophenyl)-2-methyl-5-nitrobenzenesulfonamide
CID 2796540

Frequently Asked Questions

What is the IUPAC name of N-(2-iodophenyl)-2-methyl-5-nitrobenzenesulfonamide?
The IUPAC name of N-(2-iodophenyl)-2-methyl-5-nitrobenzenesulfonamide (CID 2944627) is N-(2-iodophenyl)-2-methyl-5-nitrobenzenesulfonamide.
What is the SMILES notation for N-(2-iodophenyl)-2-methyl-5-nitrobenzenesulfonamide?
The canonical SMILES for N-(2-iodophenyl)-2-methyl-5-nitrobenzenesulfonamide is Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1I.
What is the InChIKey of N-(2-iodophenyl)-2-methyl-5-nitrobenzenesulfonamide?
The InChIKey is OJZGUVHFXXZZPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11IN2O4S/c1-9-6-7-10(16(17)18)8-13(9)21(19,20)15-12-5-3-2-4-11(12)14/h2-8,15H,1H3.
What are the key properties of N-(2-iodophenyl)-2-methyl-5-nitrobenzenesulfonamide?
N-(2-iodophenyl)-2-methyl-5-nitrobenzenesulfonamide has a molecular weight of 418.21 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-iodophenyl)-2-methyl-5-nitrobenzenesulfonamide is sourced from PubChem (CID 2944627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).