N-(3-iodophenyl)-2-(2-nitro-4-sulfamoylphenoxy)acetamide

C14H12IN3O6S — CID 55528382

IUPACN-(3-iodophenyl)-2-(2-nitro-4-sulfamoylphenoxy)acetamide
SMILESNS(=O)(=O)c1ccc(OCC(=O)Nc2cccc(I)c2)c([N+](=O)[O-])c1
InChIInChI=1S/C14H12IN3O6S/c15-9-2-1-3-10(6-9)17-14(19)8-24-13-5-4-11(25(16,22)23)7-12(13)18(20)21/h1-7H,8H2,(H,17,19)(H2,16,22,23)
InChIKeyHPIJDQWNWGSJLG-UHFFFAOYSA-N
MW477.24 g/mol
LogP1.86
Rot. Bonds6

About N-(3-iodophenyl)-2-(2-nitro-4-sulfamoylphenoxy)acetamide

N-(3-iodophenyl)-2-(2-nitro-4-sulfamoylphenoxy)acetamide (PubChem CID 55528382) has the molecular formula C14H12IN3O6S and a molecular weight of 477.24 g/mol. Its IUPAC name is N-(3-iodophenyl)-2-(2-nitro-4-sulfamoylphenoxy)acetamide.

Molecular Properties

Compound NameN-(3-iodophenyl)-2-(2-nitro-4-sulfamoylphenoxy)acetamide
PubChem CID55528382
Molecular FormulaC14H12IN3O6S
Molecular Weight477.24 g/mol
Exact Mass476.95
IUPAC NameN-(3-iodophenyl)-2-(2-nitro-4-sulfamoylphenoxy)acetamide
SMILESNS(=O)(=O)c1ccc(OCC(=O)Nc2cccc(I)c2)c([N+](=O)[O-])c1
InChIInChI=1S/C14H12IN3O6S/c15-9-2-1-3-10(6-9)17-14(19)8-24-13-5-4-11(25(16,22)23)7-12(13)18(20)21/h1-7H,8H2,(H,17,19)(H2,16,22,23)
InChIKeyHPIJDQWNWGSJLG-UHFFFAOYSA-N
XLogP1.86
TPSA141.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.24
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-fluorophenyl)-2-(2-nitro-4-sulfamoylphenoxy)acetamide
CID 55529140
2-(5-fluoro-2-nitrophenoxy)-N-(3-sulfamoylphenyl)acetamide
CID 7846097
N-(2-methyl-6-propan-2-ylphenyl)-2-(2-nitro-4-sulfamoylphenoxy)acetamide
CID 55527923
N-(3-fluorophenyl)-2-(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 5172072
2-(2-acetamidophenoxy)-N-(3-sulfamoylphenyl)acetamide
CID 7873845
2-(2,4-dichlorophenoxy)-N-(3-sulfamoylphenyl)acetamide
CID 9413124
2-(2-chlorophenoxy)-N-(3-sulfamoylphenyl)acetamide
CID 7815815
N-(3-chlorophenyl)-2-(4-methoxy-2-nitrophenoxy)acetamide
CID 7473683
[2-oxo-2-(3-sulfamoylanilino)ethyl] 5-chloro-2-nitrobenzoate
CID 3987525
[2-oxo-2-(3-sulfamoylanilino)ethyl] 3-methyl-4-nitrobenzoate
CID 4001820
N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-2-(2-nitro-4-sulfamoylphenoxy)acetamide
CID 55528814
2-(2-nitro-4-sulfamoylphenoxy)-N-[(4-phenyloxan-4-yl)methyl]acetamide
CID 55868096

Frequently Asked Questions

What is the IUPAC name of N-(3-iodophenyl)-2-(2-nitro-4-sulfamoylphenoxy)acetamide?
The IUPAC name of N-(3-iodophenyl)-2-(2-nitro-4-sulfamoylphenoxy)acetamide (CID 55528382) is N-(3-iodophenyl)-2-(2-nitro-4-sulfamoylphenoxy)acetamide.
What is the SMILES notation for N-(3-iodophenyl)-2-(2-nitro-4-sulfamoylphenoxy)acetamide?
The canonical SMILES for N-(3-iodophenyl)-2-(2-nitro-4-sulfamoylphenoxy)acetamide is NS(=O)(=O)c1ccc(OCC(=O)Nc2cccc(I)c2)c([N+](=O)[O-])c1.
What is the InChIKey of N-(3-iodophenyl)-2-(2-nitro-4-sulfamoylphenoxy)acetamide?
The InChIKey is HPIJDQWNWGSJLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12IN3O6S/c15-9-2-1-3-10(6-9)17-14(19)8-24-13-5-4-11(25(16,22)23)7-12(13)18(20)21/h1-7H,8H2,(H,17,19)(H2,16,22,23).
What are the key properties of N-(3-iodophenyl)-2-(2-nitro-4-sulfamoylphenoxy)acetamide?
N-(3-iodophenyl)-2-(2-nitro-4-sulfamoylphenoxy)acetamide has a molecular weight of 477.24 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-iodophenyl)-2-(2-nitro-4-sulfamoylphenoxy)acetamide is sourced from PubChem (CID 55528382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).