N-(5-chloro-2-hydroxyphenyl)-5-iodo-2-methoxybenzenesulfonamide

C13H11ClINO4S — CID 155516611

IUPACN-(5-chloro-2-hydroxyphenyl)-5-iodo-2-methoxybenzenesulfonamide
SMILESCOc1ccc(I)cc1S(=O)(=O)Nc1cc(Cl)ccc1O
InChIInChI=1S/C13H11ClINO4S/c1-20-12-5-3-9(15)7-13(12)21(18,19)16-10-6-8(14)2-4-11(10)17/h2-7,16-17H,1H3
InChIKeyLPFIQDGAKMDLDS-UHFFFAOYSA-N
MW439.66 g/mol
LogP3.46
Rot. Bonds4

About N-(5-chloro-2-hydroxyphenyl)-5-iodo-2-methoxybenzenesulfonamide

N-(5-chloro-2-hydroxyphenyl)-5-iodo-2-methoxybenzenesulfonamide (PubChem CID 155516611) has the molecular formula C13H11ClINO4S and a molecular weight of 439.66 g/mol. Its IUPAC name is N-(5-chloro-2-hydroxyphenyl)-5-iodo-2-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(5-chloro-2-hydroxyphenyl)-5-iodo-2-methoxybenzenesulfonamide
PubChem CID155516611
Molecular FormulaC13H11ClINO4S
Molecular Weight439.66 g/mol
Exact Mass438.91
IUPAC NameN-(5-chloro-2-hydroxyphenyl)-5-iodo-2-methoxybenzenesulfonamide
SMILESCOc1ccc(I)cc1S(=O)(=O)Nc1cc(Cl)ccc1O
InChIInChI=1S/C13H11ClINO4S/c1-20-12-5-3-9(15)7-13(12)21(18,19)16-10-6-8(14)2-4-11(10)17/h2-7,16-17H,1H3
InChIKeyLPFIQDGAKMDLDS-UHFFFAOYSA-N
XLogP3.46
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.66
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(5-chloro-2-hydroxyphenyl)-5-iodo-2-methoxybenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-hydroxyphenyl)-5-iodo-2-methoxybenzenesulfonamide?
The IUPAC name of N-(5-chloro-2-hydroxyphenyl)-5-iodo-2-methoxybenzenesulfonamide (CID 155516611) is N-(5-chloro-2-hydroxyphenyl)-5-iodo-2-methoxybenzenesulfonamide.
What is the SMILES notation for N-(5-chloro-2-hydroxyphenyl)-5-iodo-2-methoxybenzenesulfonamide?
The canonical SMILES for N-(5-chloro-2-hydroxyphenyl)-5-iodo-2-methoxybenzenesulfonamide is COc1ccc(I)cc1S(=O)(=O)Nc1cc(Cl)ccc1O.
What is the InChIKey of N-(5-chloro-2-hydroxyphenyl)-5-iodo-2-methoxybenzenesulfonamide?
The InChIKey is LPFIQDGAKMDLDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClINO4S/c1-20-12-5-3-9(15)7-13(12)21(18,19)16-10-6-8(14)2-4-11(10)17/h2-7,16-17H,1H3.
What are the key properties of N-(5-chloro-2-hydroxyphenyl)-5-iodo-2-methoxybenzenesulfonamide?
N-(5-chloro-2-hydroxyphenyl)-5-iodo-2-methoxybenzenesulfonamide has a molecular weight of 439.66 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-hydroxyphenyl)-5-iodo-2-methoxybenzenesulfonamide is sourced from PubChem (CID 155516611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).