3-amino-N-(2-iodophenyl)benzenesulfonamide

C12H11IN2O2S — CID 43124659

IUPAC3-amino-N-(2-iodophenyl)benzenesulfonamide
SMILESNc1cccc(S(=O)(=O)Nc2ccccc2I)c1
InChIInChI=1S/C12H11IN2O2S/c13-11-6-1-2-7-12(11)15-18(16,17)10-5-3-4-9(14)8-10/h1-8,15H,14H2
InChIKeyJSKIQGARJXAWTR-UHFFFAOYSA-N
MW374.20 g/mol
LogP2.67
Rot. Bonds3

About 3-amino-N-(2-iodophenyl)benzenesulfonamide

3-amino-N-(2-iodophenyl)benzenesulfonamide (PubChem CID 43124659) has the molecular formula C12H11IN2O2S and a molecular weight of 374.20 g/mol. Its IUPAC name is 3-amino-N-(2-iodophenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-(2-iodophenyl)benzenesulfonamide
PubChem CID43124659
Molecular FormulaC12H11IN2O2S
Molecular Weight374.20 g/mol
Exact Mass373.96
IUPAC Name3-amino-N-(2-iodophenyl)benzenesulfonamide
SMILESNc1cccc(S(=O)(=O)Nc2ccccc2I)c1
InChIInChI=1S/C12H11IN2O2S/c13-11-6-1-2-7-12(11)15-18(16,17)10-5-3-4-9(14)8-10/h1-8,15H,14H2
InChIKeyJSKIQGARJXAWTR-UHFFFAOYSA-N
XLogP2.67
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.20
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-amino-N-(2-iodophenyl)benzenesulfonamide 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-amino-N-(4-fluoro-2-iodophenyl)benzenesulfonamide
CID 79768613
N-(2-iodophenyl)benzenesulfonamide
CID 632219
N-(2-iodophenyl)-3-methylbenzenesulfonamide
CID 47104358
3-[(2-iodophenyl)sulfamoyl]benzenecarbothioamide
CID 28978447
3-cyano-N-(2-iodophenyl)benzenesulfonamide
CID 7938667
3-amino-N-[2-(difluoromethylsulfanyl)phenyl]benzenesulfonamide
CID 29040314
3-amino-N-(3-chloro-2-methylphenyl)benzenesulfonamide
CID 18070649
methyl 3-[(2-iodophenyl)sulfamoyl]benzoate
CID 31699712
3-amino-N-(2-cyano-3-methylphenyl)benzenesulfonamide
CID 107802519
2-hydrazinyl-N-(2-iodophenyl)pyridine-4-sulfonamide
CID 54895973
2-amino-N-(2-iodophenyl)benzenesulfonamide
CID 43124657
3-amino-N-(4-methylphenyl)benzenesulfonamide;hydrochloride
CID 134103318

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-iodophenyl)benzenesulfonamide?
The IUPAC name of 3-amino-N-(2-iodophenyl)benzenesulfonamide (CID 43124659) is 3-amino-N-(2-iodophenyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-N-(2-iodophenyl)benzenesulfonamide?
The canonical SMILES for 3-amino-N-(2-iodophenyl)benzenesulfonamide is Nc1cccc(S(=O)(=O)Nc2ccccc2I)c1.
What is the InChIKey of 3-amino-N-(2-iodophenyl)benzenesulfonamide?
The InChIKey is JSKIQGARJXAWTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11IN2O2S/c13-11-6-1-2-7-12(11)15-18(16,17)10-5-3-4-9(14)8-10/h1-8,15H,14H2.
What are the key properties of 3-amino-N-(2-iodophenyl)benzenesulfonamide?
3-amino-N-(2-iodophenyl)benzenesulfonamide has a molecular weight of 374.20 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-iodophenyl)benzenesulfonamide is sourced from PubChem (CID 43124659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).