N-(2-nitrophenyl)-3-(pyridin-2-ylsulfamoyl)benzamide

C18H14N4O5S — CID 5160447

IUPACN-(2-nitrophenyl)-3-(pyridin-2-ylsulfamoyl)benzamide
SMILESO=C(Nc1ccccc1[N+](=O)[O-])c1cccc(S(=O)(=O)Nc2ccccn2)c1
InChIInChI=1S/C18H14N4O5S/c23-18(20-15-8-1-2-9-16(15)22(24)25)13-6-5-7-14(12-13)28(26,27)21-17-10-3-4-11-19-17/h1-12H,(H,19,21)(H,20,23)
InChIKeyAQHCQKDAWUOUHT-UHFFFAOYSA-N
MW398.40 g/mol
LogP3.04
Rot. Bonds6

About N-(2-nitrophenyl)-3-(pyridin-2-ylsulfamoyl)benzamide

N-(2-nitrophenyl)-3-(pyridin-2-ylsulfamoyl)benzamide (PubChem CID 5160447) has the molecular formula C18H14N4O5S and a molecular weight of 398.40 g/mol. Its IUPAC name is N-(2-nitrophenyl)-3-(pyridin-2-ylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(2-nitrophenyl)-3-(pyridin-2-ylsulfamoyl)benzamide
PubChem CID5160447
Molecular FormulaC18H14N4O5S
Molecular Weight398.40 g/mol
Exact Mass398.07
IUPAC NameN-(2-nitrophenyl)-3-(pyridin-2-ylsulfamoyl)benzamide
SMILESO=C(Nc1ccccc1[N+](=O)[O-])c1cccc(S(=O)(=O)Nc2ccccn2)c1
InChIInChI=1S/C18H14N4O5S/c23-18(20-15-8-1-2-9-16(15)22(24)25)13-6-5-7-14(12-13)28(26,27)21-17-10-3-4-11-19-17/h1-12H,(H,19,21)(H,20,23)
InChIKeyAQHCQKDAWUOUHT-UHFFFAOYSA-N
XLogP3.04
TPSA131.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.40
LogP ≤ 53.04
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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Frequently Asked Questions

What is the IUPAC name of N-(2-nitrophenyl)-3-(pyridin-2-ylsulfamoyl)benzamide?
The IUPAC name of N-(2-nitrophenyl)-3-(pyridin-2-ylsulfamoyl)benzamide (CID 5160447) is N-(2-nitrophenyl)-3-(pyridin-2-ylsulfamoyl)benzamide.
What is the SMILES notation for N-(2-nitrophenyl)-3-(pyridin-2-ylsulfamoyl)benzamide?
The canonical SMILES for N-(2-nitrophenyl)-3-(pyridin-2-ylsulfamoyl)benzamide is O=C(Nc1ccccc1[N+](=O)[O-])c1cccc(S(=O)(=O)Nc2ccccn2)c1.
What is the InChIKey of N-(2-nitrophenyl)-3-(pyridin-2-ylsulfamoyl)benzamide?
The InChIKey is AQHCQKDAWUOUHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O5S/c23-18(20-15-8-1-2-9-16(15)22(24)25)13-6-5-7-14(12-13)28(26,27)21-17-10-3-4-11-19-17/h1-12H,(H,19,21)(H,20,23).
What are the key properties of N-(2-nitrophenyl)-3-(pyridin-2-ylsulfamoyl)benzamide?
N-(2-nitrophenyl)-3-(pyridin-2-ylsulfamoyl)benzamide has a molecular weight of 398.40 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-nitrophenyl)-3-(pyridin-2-ylsulfamoyl)benzamide is sourced from PubChem (CID 5160447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).