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

C20H19N3O3S — CID 1355763

IUPAC4-methyl-N-(2-methylphenyl)-3-(pyridin-2-ylsulfamoyl)benzamide
SMILESCc1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccccn2)c1
InChIInChI=1S/C20H19N3O3S/c1-14-7-3-4-8-17(14)22-20(24)16-11-10-15(2)18(13-16)27(25,26)23-19-9-5-6-12-21-19/h3-13H,1-2H3,(H,21,23)(H,22,24)
InChIKeyFOOXBGHGPHKFKO-UHFFFAOYSA-N
MW381.46 g/mol
LogP3.75
Rot. Bonds5

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

4-methyl-N-(2-methylphenyl)-3-(pyridin-2-ylsulfamoyl)benzamide (PubChem CID 1355763) has the molecular formula C20H19N3O3S and a molecular weight of 381.46 g/mol. Its IUPAC name is 4-methyl-N-(2-methylphenyl)-3-(pyridin-2-ylsulfamoyl)benzamide.

Molecular Properties

Compound Name4-methyl-N-(2-methylphenyl)-3-(pyridin-2-ylsulfamoyl)benzamide
PubChem CID1355763
Molecular FormulaC20H19N3O3S
Molecular Weight381.46 g/mol
Exact Mass381.11
IUPAC Name4-methyl-N-(2-methylphenyl)-3-(pyridin-2-ylsulfamoyl)benzamide
SMILESCc1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccccn2)c1
InChIInChI=1S/C20H19N3O3S/c1-14-7-3-4-8-17(14)22-20(24)16-11-10-15(2)18(13-16)27(25,26)23-19-9-5-6-12-21-19/h3-13H,1-2H3,(H,21,23)(H,22,24)
InChIKeyFOOXBGHGPHKFKO-UHFFFAOYSA-N
XLogP3.75
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-methylphenyl)-3-(pyridin-2-ylsulfamoyl)benzamide?
The IUPAC name of 4-methyl-N-(2-methylphenyl)-3-(pyridin-2-ylsulfamoyl)benzamide (CID 1355763) is 4-methyl-N-(2-methylphenyl)-3-(pyridin-2-ylsulfamoyl)benzamide.
What is the SMILES notation for 4-methyl-N-(2-methylphenyl)-3-(pyridin-2-ylsulfamoyl)benzamide?
The canonical SMILES for 4-methyl-N-(2-methylphenyl)-3-(pyridin-2-ylsulfamoyl)benzamide is Cc1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccccn2)c1.
What is the InChIKey of 4-methyl-N-(2-methylphenyl)-3-(pyridin-2-ylsulfamoyl)benzamide?
The InChIKey is FOOXBGHGPHKFKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3S/c1-14-7-3-4-8-17(14)22-20(24)16-11-10-15(2)18(13-16)27(25,26)23-19-9-5-6-12-21-19/h3-13H,1-2H3,(H,21,23)(H,22,24).
What are the key properties of 4-methyl-N-(2-methylphenyl)-3-(pyridin-2-ylsulfamoyl)benzamide?
4-methyl-N-(2-methylphenyl)-3-(pyridin-2-ylsulfamoyl)benzamide has a molecular weight of 381.46 g/mol, XLogP of 3.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-methylphenyl)-3-(pyridin-2-ylsulfamoyl)benzamide is sourced from PubChem (CID 1355763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).