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

C19H16N4O5S — CID 1105804

IUPAC2-(N-(2-nitrophenyl)sulfonylanilino)-N-pyridin-3-ylacetamide
SMILESO=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])Nc1cccnc1
InChIInChI=1S/C19H16N4O5S/c24-19(21-15-7-6-12-20-13-15)14-22(16-8-2-1-3-9-16)29(27,28)18-11-5-4-10-17(18)23(25)26/h1-13H,14H2,(H,21,24)
InChIKeyUDANJYPTOMQPEG-UHFFFAOYSA-N
MW412.43 g/mol
LogP2.82
Rot. Bonds7

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

2-(N-(2-nitrophenyl)sulfonylanilino)-N-pyridin-3-ylacetamide (PubChem CID 1105804) has the molecular formula C19H16N4O5S and a molecular weight of 412.43 g/mol. Its IUPAC name is 2-(N-(2-nitrophenyl)sulfonylanilino)-N-pyridin-3-ylacetamide.

Molecular Properties

Compound Name2-(N-(2-nitrophenyl)sulfonylanilino)-N-pyridin-3-ylacetamide
PubChem CID1105804
Molecular FormulaC19H16N4O5S
Molecular Weight412.43 g/mol
Exact Mass412.08
IUPAC Name2-(N-(2-nitrophenyl)sulfonylanilino)-N-pyridin-3-ylacetamide
SMILESO=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])Nc1cccnc1
InChIInChI=1S/C19H16N4O5S/c24-19(21-15-7-6-12-20-13-15)14-22(16-8-2-1-3-9-16)29(27,28)18-11-5-4-10-17(18)23(25)26/h1-13H,14H2,(H,21,24)
InChIKeyUDANJYPTOMQPEG-UHFFFAOYSA-N
XLogP2.82
TPSA122.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.43
LogP ≤ 52.82
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 2-(N-(2-nitrophenyl)sulfonylanilino)-N-pyridin-3-ylacetamide?
The IUPAC name of 2-(N-(2-nitrophenyl)sulfonylanilino)-N-pyridin-3-ylacetamide (CID 1105804) is 2-(N-(2-nitrophenyl)sulfonylanilino)-N-pyridin-3-ylacetamide.
What is the SMILES notation for 2-(N-(2-nitrophenyl)sulfonylanilino)-N-pyridin-3-ylacetamide?
The canonical SMILES for 2-(N-(2-nitrophenyl)sulfonylanilino)-N-pyridin-3-ylacetamide is O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])Nc1cccnc1.
What is the InChIKey of 2-(N-(2-nitrophenyl)sulfonylanilino)-N-pyridin-3-ylacetamide?
The InChIKey is UDANJYPTOMQPEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O5S/c24-19(21-15-7-6-12-20-13-15)14-22(16-8-2-1-3-9-16)29(27,28)18-11-5-4-10-17(18)23(25)26/h1-13H,14H2,(H,21,24).
What are the key properties of 2-(N-(2-nitrophenyl)sulfonylanilino)-N-pyridin-3-ylacetamide?
2-(N-(2-nitrophenyl)sulfonylanilino)-N-pyridin-3-ylacetamide has a molecular weight of 412.43 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(2-nitrophenyl)sulfonylanilino)-N-pyridin-3-ylacetamide is sourced from PubChem (CID 1105804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).