3-amino-4-(2-iodophenoxy)-N-methylbenzenesulfonamide

C13H13IN2O3S — CID 43479573

IUPAC3-amino-4-(2-iodophenoxy)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(Oc2ccccc2I)c(N)c1
InChIInChI=1S/C13H13IN2O3S/c1-16-20(17,18)9-6-7-13(11(15)8-9)19-12-5-3-2-4-10(12)14/h2-8,16H,15H2,1H3
InChIKeyVWXGSQYQIDHTBK-UHFFFAOYSA-N
MW404.23 g/mol
LogP2.57
Rot. Bonds4

About 3-amino-4-(2-iodophenoxy)-N-methylbenzenesulfonamide

3-amino-4-(2-iodophenoxy)-N-methylbenzenesulfonamide (PubChem CID 43479573) has the molecular formula C13H13IN2O3S and a molecular weight of 404.23 g/mol. Its IUPAC name is 3-amino-4-(2-iodophenoxy)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-(2-iodophenoxy)-N-methylbenzenesulfonamide
PubChem CID43479573
Molecular FormulaC13H13IN2O3S
Molecular Weight404.23 g/mol
Exact Mass403.97
IUPAC Name3-amino-4-(2-iodophenoxy)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(Oc2ccccc2I)c(N)c1
InChIInChI=1S/C13H13IN2O3S/c1-16-20(17,18)9-6-7-13(11(15)8-9)19-12-5-3-2-4-10(12)14/h2-8,16H,15H2,1H3
InChIKeyVWXGSQYQIDHTBK-UHFFFAOYSA-N
XLogP2.57
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.23
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-amino-4-(2-iodophenoxy)-N-methylbenzenesulfonamide 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-4-(2,3-dichlorophenoxy)-N-methylbenzenesulfonamide
CID 43449302
3-amino-4-(2,4-dichlorophenoxy)-N-methylbenzenesulfonamide
CID 43449278
3-amino-4-(2-bromo-4-chlorophenoxy)-N-methylbenzenesulfonamide
CID 43449283
4-amino-3-(2-chlorophenoxy)-N-methylbenzenesulfonamide
CID 82900666
3-amino-4-butoxy-N-methylbenzenesulfonamide
CID 43449328
3-amino-4-(3-methoxypropoxy)-N-methylbenzenesulfonamide
CID 54936668
3-amino-N-methyl-4-(2,2,2-trifluoroethoxy)benzenesulfonamide
CID 43382810
4-amino-3-(2-fluoro-3-methylphenoxy)-N-methylbenzenesulfonamide
CID 107655559
3-amino-4-(2-methylphenoxy)benzenesulfonic acid
CID 18959894
3-amino-N-methyl-4-(2-propoxyethoxy)benzenesulfonamide
CID 55234253
3-amino-4-[2-(2-methoxyethoxy)ethoxy]-N-methylbenzenesulfonamide
CID 104559947
3-amino-4-cycloheptyloxy-N-methylbenzenesulfonamide
CID 61069538

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(2-iodophenoxy)-N-methylbenzenesulfonamide?
The IUPAC name of 3-amino-4-(2-iodophenoxy)-N-methylbenzenesulfonamide (CID 43479573) is 3-amino-4-(2-iodophenoxy)-N-methylbenzenesulfonamide.
What is the SMILES notation for 3-amino-4-(2-iodophenoxy)-N-methylbenzenesulfonamide?
The canonical SMILES for 3-amino-4-(2-iodophenoxy)-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccc(Oc2ccccc2I)c(N)c1.
What is the InChIKey of 3-amino-4-(2-iodophenoxy)-N-methylbenzenesulfonamide?
The InChIKey is VWXGSQYQIDHTBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13IN2O3S/c1-16-20(17,18)9-6-7-13(11(15)8-9)19-12-5-3-2-4-10(12)14/h2-8,16H,15H2,1H3.
What are the key properties of 3-amino-4-(2-iodophenoxy)-N-methylbenzenesulfonamide?
3-amino-4-(2-iodophenoxy)-N-methylbenzenesulfonamide has a molecular weight of 404.23 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(2-iodophenoxy)-N-methylbenzenesulfonamide is sourced from PubChem (CID 43479573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).