2-[(2-nitro-3-pyridinyl)oxy]-N-(4-sulfamoylphenyl)acetamide

C13H12N4O6S — CID 3347612

IUPAC2-[(2-nitro-3-pyridinyl)oxy]-N-(4-sulfamoylphenyl)acetamide
SMILESNS(=O)(=O)c1ccc(NC(=O)COc2cccnc2[N+](=O)[O-])cc1
InChIInChI=1S/C13H12N4O6S/c14-24(21,22)10-5-3-9(4-6-10)16-12(18)8-23-11-2-1-7-15-13(11)17(19)20/h1-7H,8H2,(H,16,18)(H2,14,21,22)
InChIKeySPQMHJKLEUYKCS-UHFFFAOYSA-N
MW352.33 g/mol
LogP0.65
Rot. Bonds6

About 2-[(2-nitro-3-pyridinyl)oxy]-N-(4-sulfamoylphenyl)acetamide

2-[(2-nitro-3-pyridinyl)oxy]-N-(4-sulfamoylphenyl)acetamide (PubChem CID 3347612) has the molecular formula C13H12N4O6S and a molecular weight of 352.33 g/mol. Its IUPAC name is 2-[(2-nitro-3-pyridinyl)oxy]-N-(4-sulfamoylphenyl)acetamide.

Molecular Properties

Compound Name2-[(2-nitro-3-pyridinyl)oxy]-N-(4-sulfamoylphenyl)acetamide
PubChem CID3347612
Molecular FormulaC13H12N4O6S
Molecular Weight352.33 g/mol
Exact Mass352.05
IUPAC Name2-[(2-nitro-3-pyridinyl)oxy]-N-(4-sulfamoylphenyl)acetamide
SMILESNS(=O)(=O)c1ccc(NC(=O)COc2cccnc2[N+](=O)[O-])cc1
InChIInChI=1S/C13H12N4O6S/c14-24(21,22)10-5-3-9(4-6-10)16-12(18)8-23-11-2-1-7-15-13(11)17(19)20/h1-7H,8H2,(H,16,18)(H2,14,21,22)
InChIKeySPQMHJKLEUYKCS-UHFFFAOYSA-N
XLogP0.65
TPSA154.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.33
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(4-fluoro-3-nitrophenyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide
CID 4840036
N-(4-ethoxyphenyl)-4-[[2-[(2-nitro-3-pyridinyl)oxy]acetyl]amino]benzamide
CID 16959110
N-(4-fluorophenyl)-2-(2-nitro-4-sulfamoylphenoxy)acetamide
CID 55529140
N-[4-[2-[(2-nitro-3-pyridinyl)oxy]acetyl]phenyl]propanamide
CID 16959114
N-(3-methylsulfanylphenyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide
CID 8893390
N-(2-hydroxyethyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide
CID 43509914
N-[2,6-di(propan-2-yl)phenyl]-2-[(2-nitro-3-pyridinyl)oxy]acetamide
CID 40575021
N-cyclopropyl-2-[(2-nitro-3-pyridinyl)oxy]acetamide
CID 3578333
N-(9-ethylcarbazol-3-yl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide
CID 16796852
N-(2-methylpropyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide
CID 3895625
2-[(2-nitro-3-pyridinyl)oxy]-N-(propan-2-ylcarbamoyl)acetamide
CID 3493079
3-[[2-[(2-nitro-3-pyridinyl)oxy]acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 29338744

Frequently Asked Questions

What is the IUPAC name of 2-[(2-nitro-3-pyridinyl)oxy]-N-(4-sulfamoylphenyl)acetamide?
The IUPAC name of 2-[(2-nitro-3-pyridinyl)oxy]-N-(4-sulfamoylphenyl)acetamide (CID 3347612) is 2-[(2-nitro-3-pyridinyl)oxy]-N-(4-sulfamoylphenyl)acetamide.
What is the SMILES notation for 2-[(2-nitro-3-pyridinyl)oxy]-N-(4-sulfamoylphenyl)acetamide?
The canonical SMILES for 2-[(2-nitro-3-pyridinyl)oxy]-N-(4-sulfamoylphenyl)acetamide is NS(=O)(=O)c1ccc(NC(=O)COc2cccnc2[N+](=O)[O-])cc1.
What is the InChIKey of 2-[(2-nitro-3-pyridinyl)oxy]-N-(4-sulfamoylphenyl)acetamide?
The InChIKey is SPQMHJKLEUYKCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O6S/c14-24(21,22)10-5-3-9(4-6-10)16-12(18)8-23-11-2-1-7-15-13(11)17(19)20/h1-7H,8H2,(H,16,18)(H2,14,21,22).
What are the key properties of 2-[(2-nitro-3-pyridinyl)oxy]-N-(4-sulfamoylphenyl)acetamide?
2-[(2-nitro-3-pyridinyl)oxy]-N-(4-sulfamoylphenyl)acetamide has a molecular weight of 352.33 g/mol, XLogP of 0.65, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-nitro-3-pyridinyl)oxy]-N-(4-sulfamoylphenyl)acetamide is sourced from PubChem (CID 3347612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).