N-[3-[(4-nitrophenyl)sulfonylamino]-2-pyridinyl]acetamide

C13H12N4O5S — CID 75524313

IUPACN-[3-[(4-nitrophenyl)sulfonylamino]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1ncccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C13H12N4O5S/c1-9(18)15-13-12(3-2-8-14-13)16-23(21,22)11-6-4-10(5-7-11)17(19)20/h2-8,16H,1H3,(H,14,15,18)
InChIKeyPYAFDMCGVPQQEF-UHFFFAOYSA-N
MW336.33 g/mol
LogP1.75
Rot. Bonds5

About N-[3-[(4-nitrophenyl)sulfonylamino]-2-pyridinyl]acetamide

N-[3-[(4-nitrophenyl)sulfonylamino]-2-pyridinyl]acetamide (PubChem CID 75524313) has the molecular formula C13H12N4O5S and a molecular weight of 336.33 g/mol. Its IUPAC name is N-[3-[(4-nitrophenyl)sulfonylamino]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[3-[(4-nitrophenyl)sulfonylamino]-2-pyridinyl]acetamide
PubChem CID75524313
Molecular FormulaC13H12N4O5S
Molecular Weight336.33 g/mol
Exact Mass336.05
IUPAC NameN-[3-[(4-nitrophenyl)sulfonylamino]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1ncccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C13H12N4O5S/c1-9(18)15-13-12(3-2-8-14-13)16-23(21,22)11-6-4-10(5-7-11)17(19)20/h2-8,16H,1H3,(H,14,15,18)
InChIKeyPYAFDMCGVPQQEF-UHFFFAOYSA-N
XLogP1.75
TPSA131.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.33
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

2-[(4-nitrophenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)benzamide
CID 17361114
N-(2-ethylphenyl)-4-nitrobenzenesulfonamide
CID 3980128
N-(3-methoxypyrazin-2-yl)-4-nitrobenzenesulfonamide
CID 101043457
N-[2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-3-pyridinyl]-4-nitrobenzenesulfonamide
CID 2810663
N-(2-ethoxyphenyl)-4-nitrobenzenesulfonamide
CID 779776
5-methyl-N-[2-[(4-nitrophenyl)sulfonylamino]phenyl]-1,2-oxazole-4-carboxamide
CID 12020031
4-nitro-N-(2-pyridin-2-ylphenyl)benzenesulfonamide;palladium;pyridine;hydrofluoride
CID 44540787
1-(4-methoxyphenyl)-3-[2-[(4-nitrophenyl)sulfonylamino]phenyl]urea
CID 171358011
1-(3,4-dichlorophenyl)-3-[2-[(4-nitrophenyl)sulfonylamino]phenyl]urea
CID 171352609
1-(4-chlorophenyl)-3-[2-[(4-nitrophenyl)sulfonylamino]phenyl]urea
CID 171352632
acetic acid;N-(5-tert-butyl-2-pyridin-2-ylphenyl)-4-nitrobenzenesulfonamide;palladium;pyridine
CID 44540791
2-[(4-nitrophenyl)sulfonylamino]benzenesulfonamide
CID 68782623

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-nitrophenyl)sulfonylamino]-2-pyridinyl]acetamide?
The IUPAC name of N-[3-[(4-nitrophenyl)sulfonylamino]-2-pyridinyl]acetamide (CID 75524313) is N-[3-[(4-nitrophenyl)sulfonylamino]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[3-[(4-nitrophenyl)sulfonylamino]-2-pyridinyl]acetamide?
The canonical SMILES for N-[3-[(4-nitrophenyl)sulfonylamino]-2-pyridinyl]acetamide is CC(=O)Nc1ncccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-[3-[(4-nitrophenyl)sulfonylamino]-2-pyridinyl]acetamide?
The InChIKey is PYAFDMCGVPQQEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O5S/c1-9(18)15-13-12(3-2-8-14-13)16-23(21,22)11-6-4-10(5-7-11)17(19)20/h2-8,16H,1H3,(H,14,15,18).
What are the key properties of N-[3-[(4-nitrophenyl)sulfonylamino]-2-pyridinyl]acetamide?
N-[3-[(4-nitrophenyl)sulfonylamino]-2-pyridinyl]acetamide has a molecular weight of 336.33 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-nitrophenyl)sulfonylamino]-2-pyridinyl]acetamide is sourced from PubChem (CID 75524313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).