5-(aminomethyl)-2-chloro-N-(2-chloro-4-iodophenyl)benzenesulfonamide

C13H11Cl2IN2O2S — CID 106006581

IUPAC5-(aminomethyl)-2-chloro-N-(2-chloro-4-iodophenyl)benzenesulfonamide
SMILESNCc1ccc(Cl)c(S(=O)(=O)Nc2ccc(I)cc2Cl)c1
InChIInChI=1S/C13H11Cl2IN2O2S/c14-10-3-1-8(7-17)5-13(10)21(19,20)18-12-4-2-9(16)6-11(12)15/h1-6,18H,7,17H2
InChIKeyKKDFONYNLCNRFP-UHFFFAOYSA-N
MW457.12 g/mol
LogP3.86
Rot. Bonds4

About 5-(aminomethyl)-2-chloro-N-(2-chloro-4-iodophenyl)benzenesulfonamide

5-(aminomethyl)-2-chloro-N-(2-chloro-4-iodophenyl)benzenesulfonamide (PubChem CID 106006581) has the molecular formula C13H11Cl2IN2O2S and a molecular weight of 457.12 g/mol. Its IUPAC name is 5-(aminomethyl)-2-chloro-N-(2-chloro-4-iodophenyl)benzenesulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-2-chloro-N-(2-chloro-4-iodophenyl)benzenesulfonamide
PubChem CID106006581
Molecular FormulaC13H11Cl2IN2O2S
Molecular Weight457.12 g/mol
Exact Mass455.90
IUPAC Name5-(aminomethyl)-2-chloro-N-(2-chloro-4-iodophenyl)benzenesulfonamide
SMILESNCc1ccc(Cl)c(S(=O)(=O)Nc2ccc(I)cc2Cl)c1
InChIInChI=1S/C13H11Cl2IN2O2S/c14-10-3-1-8(7-17)5-13(10)21(19,20)18-12-4-2-9(16)6-11(12)15/h1-6,18H,7,17H2
InChIKeyKKDFONYNLCNRFP-UHFFFAOYSA-N
XLogP3.86
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.12
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(aminomethyl)-2-chloro-N-(2-chloro-4-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

5-(aminomethyl)-2-chloro-N-(4-iodophenyl)benzenesulfonamide
CID 106029582
4-(aminomethyl)-2-bromo-N-(2-chloro-4-iodophenyl)benzenesulfonamide
CID 106006535
2-(aminomethyl)-N-(2-chloro-4-iodophenyl)benzenesulfonamide
CID 106006776
5-(aminomethyl)-2-chloro-N-(3,4-dichlorophenyl)benzenesulfonamide
CID 106059474
5-(aminomethyl)-2-chloro-N-(3,5-dichlorophenyl)benzenesulfonamide
CID 106058925
5-(aminomethyl)-N-(2-chloro-4-iodophenyl)-2-methylfuran-3-sulfonamide
CID 106006619
5-(aminomethyl)-N-(2-chloro-4-fluorophenyl)-2-methylbenzenesulfonamide
CID 106029190
2,5-dichloro-N-(2-fluoro-4-iodophenyl)benzenesulfonamide
CID 3776301
5-(aminomethyl)-2-chloro-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 106031342
3-(aminomethyl)-N-(2-chloro-4-iodophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 106006895
N-(2-chloro-4-iodophenyl)-4-methylbenzenesulfonamide
CID 39875442
N-(2-chloro-4-iodophenyl)-4-(ethylamino)pyridine-3-sulfonamide
CID 107605993

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-chloro-N-(2-chloro-4-iodophenyl)benzenesulfonamide?
The IUPAC name of 5-(aminomethyl)-2-chloro-N-(2-chloro-4-iodophenyl)benzenesulfonamide (CID 106006581) is 5-(aminomethyl)-2-chloro-N-(2-chloro-4-iodophenyl)benzenesulfonamide.
What is the SMILES notation for 5-(aminomethyl)-2-chloro-N-(2-chloro-4-iodophenyl)benzenesulfonamide?
The canonical SMILES for 5-(aminomethyl)-2-chloro-N-(2-chloro-4-iodophenyl)benzenesulfonamide is NCc1ccc(Cl)c(S(=O)(=O)Nc2ccc(I)cc2Cl)c1.
What is the InChIKey of 5-(aminomethyl)-2-chloro-N-(2-chloro-4-iodophenyl)benzenesulfonamide?
The InChIKey is KKDFONYNLCNRFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2IN2O2S/c14-10-3-1-8(7-17)5-13(10)21(19,20)18-12-4-2-9(16)6-11(12)15/h1-6,18H,7,17H2.
What are the key properties of 5-(aminomethyl)-2-chloro-N-(2-chloro-4-iodophenyl)benzenesulfonamide?
5-(aminomethyl)-2-chloro-N-(2-chloro-4-iodophenyl)benzenesulfonamide has a molecular weight of 457.12 g/mol, XLogP of 3.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2-chloro-N-(2-chloro-4-iodophenyl)benzenesulfonamide is sourced from PubChem (CID 106006581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).