2-[2-(2-nitrophenyl)sulfonylanilino]-N-pyridin-3-ylacetamide

C19H16N4O5S — CID 22303708

IUPAC2-[2-(2-nitrophenyl)sulfonylanilino]-N-pyridin-3-ylacetamide
SMILESO=C(CNc1ccccc1S(=O)(=O)c1ccccc1[N+](=O)[O-])Nc1cccnc1
InChIInChI=1S/C19H16N4O5S/c24-19(22-14-6-5-11-20-12-14)13-21-15-7-1-3-9-17(15)29(27,28)18-10-4-2-8-16(18)23(25)26/h1-12,21H,13H2,(H,22,24)
InChIKeyDPKRSHAPEMSXPT-UHFFFAOYSA-N
MW412.43 g/mol
LogP2.87
Rot. Bonds7

About 2-[2-(2-nitrophenyl)sulfonylanilino]-N-pyridin-3-ylacetamide

2-[2-(2-nitrophenyl)sulfonylanilino]-N-pyridin-3-ylacetamide (PubChem CID 22303708) has the molecular formula C19H16N4O5S and a molecular weight of 412.43 g/mol. Its IUPAC name is 2-[2-(2-nitrophenyl)sulfonylanilino]-N-pyridin-3-ylacetamide.

Molecular Properties

Compound Name2-[2-(2-nitrophenyl)sulfonylanilino]-N-pyridin-3-ylacetamide
PubChem CID22303708
Molecular FormulaC19H16N4O5S
Molecular Weight412.43 g/mol
Exact Mass412.08
IUPAC Name2-[2-(2-nitrophenyl)sulfonylanilino]-N-pyridin-3-ylacetamide
SMILESO=C(CNc1ccccc1S(=O)(=O)c1ccccc1[N+](=O)[O-])Nc1cccnc1
InChIInChI=1S/C19H16N4O5S/c24-19(22-14-6-5-11-20-12-14)13-21-15-7-1-3-9-17(15)29(27,28)18-10-4-2-8-16(18)23(25)26/h1-12,21H,13H2,(H,22,24)
InChIKeyDPKRSHAPEMSXPT-UHFFFAOYSA-N
XLogP2.87
TPSA131.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.43
LogP ≤ 52.87
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

methyl 2-[[2-[2-(2-nitrophenyl)sulfonylanilino]acetyl]amino]benzoate
CID 22303709
2-[2-(benzenesulfonyl)-4-propan-2-ylanilino]-N-pyridin-3-ylacetamide
CID 22304868
2-(2,4-dinitrophenyl)-N-pyridin-3-ylacetamide
CID 4631764
3-nitro-N-[2-oxo-2-(pyridin-3-ylamino)ethyl]benzamide
CID 26591854
2-anilino-N-(2-methyl-3-nitrophenyl)acetamide
CID 60646897
N-(4-chlorophenyl)-2-[(2-nitrophenyl)sulfonylamino]acetamide
CID 127031219
2-nitro-N-(pyridin-3-ylcarbamothioyl)benzamide
CID 883119
methyl 2-[2-(2,4-dinitrophenyl)sulfonylanilino]acetate
CID 18363996
2-chloro-N-(2-nitrophenyl)-5-(pyridin-3-ylsulfamoyl)benzamide
CID 25040314
N-[3-[[2-(2-nitrophenyl)acetyl]amino]phenyl]pyridine-3-carboxamide
CID 39678604
4-[[2-(2-methyl-3-nitroanilino)acetyl]amino]benzamide
CID 37479645
N-(3-bromophenyl)-2-(2-methyl-3-nitroanilino)acetamide
CID 9102349

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-nitrophenyl)sulfonylanilino]-N-pyridin-3-ylacetamide?
The IUPAC name of 2-[2-(2-nitrophenyl)sulfonylanilino]-N-pyridin-3-ylacetamide (CID 22303708) is 2-[2-(2-nitrophenyl)sulfonylanilino]-N-pyridin-3-ylacetamide.
What is the SMILES notation for 2-[2-(2-nitrophenyl)sulfonylanilino]-N-pyridin-3-ylacetamide?
The canonical SMILES for 2-[2-(2-nitrophenyl)sulfonylanilino]-N-pyridin-3-ylacetamide is O=C(CNc1ccccc1S(=O)(=O)c1ccccc1[N+](=O)[O-])Nc1cccnc1.
What is the InChIKey of 2-[2-(2-nitrophenyl)sulfonylanilino]-N-pyridin-3-ylacetamide?
The InChIKey is DPKRSHAPEMSXPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O5S/c24-19(22-14-6-5-11-20-12-14)13-21-15-7-1-3-9-17(15)29(27,28)18-10-4-2-8-16(18)23(25)26/h1-12,21H,13H2,(H,22,24).
What are the key properties of 2-[2-(2-nitrophenyl)sulfonylanilino]-N-pyridin-3-ylacetamide?
2-[2-(2-nitrophenyl)sulfonylanilino]-N-pyridin-3-ylacetamide has a molecular weight of 412.43 g/mol, XLogP of 2.87, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-nitrophenyl)sulfonylanilino]-N-pyridin-3-ylacetamide is sourced from PubChem (CID 22303708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).