2-(hydroxy-λ3-iodanylidene)-3-(4-hydroxyphenyl)-N-(4-sulfamoylphenyl)propanamide

C15H15IN2O5S — CID 142468592

IUPAC2-(hydroxy-λ3-iodanylidene)-3-(4-hydroxyphenyl)-N-(4-sulfamoylphenyl)propanamide
SMILESNS(=O)(=O)c1ccc(NC(=O)/C(Cc2ccc(O)cc2)=I/O)cc1
InChIInChI=1S/C15H15IN2O5S/c17-24(22,23)13-7-3-11(4-8-13)18-15(20)14(16-21)9-10-1-5-12(19)6-2-10/h1-8,19,21H,9H2,(H,18,20)(H2,17,22,23)
InChIKeyHXZPPVOFALVZOJ-UHFFFAOYSA-N
MW462.27 g/mol
LogP1.27
Rot. Bonds5

About 2-(hydroxy-λ3-iodanylidene)-3-(4-hydroxyphenyl)-N-(4-sulfamoylphenyl)propanamide

2-(hydroxy-λ3-iodanylidene)-3-(4-hydroxyphenyl)-N-(4-sulfamoylphenyl)propanamide (PubChem CID 142468592) has the molecular formula C15H15IN2O5S and a molecular weight of 462.27 g/mol. Its IUPAC name is 2-(hydroxy-λ3-iodanylidene)-3-(4-hydroxyphenyl)-N-(4-sulfamoylphenyl)propanamide.

Molecular Properties

Compound Name2-(hydroxy-λ3-iodanylidene)-3-(4-hydroxyphenyl)-N-(4-sulfamoylphenyl)propanamide
PubChem CID142468592
Molecular FormulaC15H15IN2O5S
Molecular Weight462.27 g/mol
Exact Mass461.97
IUPAC Name2-(hydroxy-λ3-iodanylidene)-3-(4-hydroxyphenyl)-N-(4-sulfamoylphenyl)propanamide
SMILESNS(=O)(=O)c1ccc(NC(=O)/C(Cc2ccc(O)cc2)=I/O)cc1
InChIInChI=1S/C15H15IN2O5S/c17-24(22,23)13-7-3-11(4-8-13)18-15(20)14(16-21)9-10-1-5-12(19)6-2-10/h1-8,19,21H,9H2,(H,18,20)(H2,17,22,23)
InChIKeyHXZPPVOFALVZOJ-UHFFFAOYSA-N
XLogP1.27
TPSA129.72 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.27
LogP ≤ 51.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(hydroxy-λ3-iodanylidene)-3-(4-hydroxyphenyl)-N-(4-sulfamoylphenyl)propanamide?
The IUPAC name of 2-(hydroxy-λ3-iodanylidene)-3-(4-hydroxyphenyl)-N-(4-sulfamoylphenyl)propanamide (CID 142468592) is 2-(hydroxy-λ3-iodanylidene)-3-(4-hydroxyphenyl)-N-(4-sulfamoylphenyl)propanamide.
What is the SMILES notation for 2-(hydroxy-λ3-iodanylidene)-3-(4-hydroxyphenyl)-N-(4-sulfamoylphenyl)propanamide?
The canonical SMILES for 2-(hydroxy-λ3-iodanylidene)-3-(4-hydroxyphenyl)-N-(4-sulfamoylphenyl)propanamide is NS(=O)(=O)c1ccc(NC(=O)/C(Cc2ccc(O)cc2)=I/O)cc1.
What is the InChIKey of 2-(hydroxy-λ3-iodanylidene)-3-(4-hydroxyphenyl)-N-(4-sulfamoylphenyl)propanamide?
The InChIKey is HXZPPVOFALVZOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15IN2O5S/c17-24(22,23)13-7-3-11(4-8-13)18-15(20)14(16-21)9-10-1-5-12(19)6-2-10/h1-8,19,21H,9H2,(H,18,20)(H2,17,22,23).
What are the key properties of 2-(hydroxy-λ3-iodanylidene)-3-(4-hydroxyphenyl)-N-(4-sulfamoylphenyl)propanamide?
2-(hydroxy-λ3-iodanylidene)-3-(4-hydroxyphenyl)-N-(4-sulfamoylphenyl)propanamide has a molecular weight of 462.27 g/mol, XLogP of 1.27, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxy-λ3-iodanylidene)-3-(4-hydroxyphenyl)-N-(4-sulfamoylphenyl)propanamide is sourced from PubChem (CID 142468592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).