4-methyl-N-(4-nitrophenyl)-3-(pyridin-2-ylsulfamoyl)benzamide

C19H16N4O5S — CID 2876511

IUPAC4-methyl-N-(4-nitrophenyl)-3-(pyridin-2-ylsulfamoyl)benzamide
SMILESCc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1S(=O)(=O)Nc1ccccn1
InChIInChI=1S/C19H16N4O5S/c1-13-5-6-14(19(24)21-15-7-9-16(10-8-15)23(25)26)12-17(13)29(27,28)22-18-4-2-3-11-20-18/h2-12H,1H3,(H,20,22)(H,21,24)
InChIKeyOMPMYIJNHGPYGB-UHFFFAOYSA-N
MW412.43 g/mol
LogP3.35
Rot. Bonds6

About 4-methyl-N-(4-nitrophenyl)-3-(pyridin-2-ylsulfamoyl)benzamide

4-methyl-N-(4-nitrophenyl)-3-(pyridin-2-ylsulfamoyl)benzamide (PubChem CID 2876511) has the molecular formula C19H16N4O5S and a molecular weight of 412.43 g/mol. Its IUPAC name is 4-methyl-N-(4-nitrophenyl)-3-(pyridin-2-ylsulfamoyl)benzamide.

Molecular Properties

Compound Name4-methyl-N-(4-nitrophenyl)-3-(pyridin-2-ylsulfamoyl)benzamide
PubChem CID2876511
Molecular FormulaC19H16N4O5S
Molecular Weight412.43 g/mol
Exact Mass412.08
IUPAC Name4-methyl-N-(4-nitrophenyl)-3-(pyridin-2-ylsulfamoyl)benzamide
SMILESCc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1S(=O)(=O)Nc1ccccn1
InChIInChI=1S/C19H16N4O5S/c1-13-5-6-14(19(24)21-15-7-9-16(10-8-15)23(25)26)12-17(13)29(27,28)22-18-4-2-3-11-20-18/h2-12H,1H3,(H,20,22)(H,21,24)
InChIKeyOMPMYIJNHGPYGB-UHFFFAOYSA-N
XLogP3.35
TPSA131.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.43
LogP ≤ 53.35
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 4-methyl-N-(4-nitrophenyl)-3-(pyridin-2-ylsulfamoyl)benzamide?
The IUPAC name of 4-methyl-N-(4-nitrophenyl)-3-(pyridin-2-ylsulfamoyl)benzamide (CID 2876511) is 4-methyl-N-(4-nitrophenyl)-3-(pyridin-2-ylsulfamoyl)benzamide.
What is the SMILES notation for 4-methyl-N-(4-nitrophenyl)-3-(pyridin-2-ylsulfamoyl)benzamide?
The canonical SMILES for 4-methyl-N-(4-nitrophenyl)-3-(pyridin-2-ylsulfamoyl)benzamide is Cc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1S(=O)(=O)Nc1ccccn1.
What is the InChIKey of 4-methyl-N-(4-nitrophenyl)-3-(pyridin-2-ylsulfamoyl)benzamide?
The InChIKey is OMPMYIJNHGPYGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O5S/c1-13-5-6-14(19(24)21-15-7-9-16(10-8-15)23(25)26)12-17(13)29(27,28)22-18-4-2-3-11-20-18/h2-12H,1H3,(H,20,22)(H,21,24).
What are the key properties of 4-methyl-N-(4-nitrophenyl)-3-(pyridin-2-ylsulfamoyl)benzamide?
4-methyl-N-(4-nitrophenyl)-3-(pyridin-2-ylsulfamoyl)benzamide has a molecular weight of 412.43 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(4-nitrophenyl)-3-(pyridin-2-ylsulfamoyl)benzamide is sourced from PubChem (CID 2876511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).