3-[ethyl(phenyl)sulfamoyl]-N-(5-methyl-2-pyridinyl)benzamide

C21H21N3O3S — CID 24816731

IUPAC3-[ethyl(phenyl)sulfamoyl]-N-(5-methyl-2-pyridinyl)benzamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2ccc(C)cn2)c1
InChIInChI=1S/C21H21N3O3S/c1-3-24(18-9-5-4-6-10-18)28(26,27)19-11-7-8-17(14-19)21(25)23-20-13-12-16(2)15-22-20/h4-15H,3H2,1-2H3,(H,22,23,25)
InChIKeyXOOFZRUETPNNHN-UHFFFAOYSA-N
MW395.48 g/mol
LogP3.86
Rot. Bonds6

About 3-[ethyl(phenyl)sulfamoyl]-N-(5-methyl-2-pyridinyl)benzamide

3-[ethyl(phenyl)sulfamoyl]-N-(5-methyl-2-pyridinyl)benzamide (PubChem CID 24816731) has the molecular formula C21H21N3O3S and a molecular weight of 395.48 g/mol. Its IUPAC name is 3-[ethyl(phenyl)sulfamoyl]-N-(5-methyl-2-pyridinyl)benzamide.

Molecular Properties

Compound Name3-[ethyl(phenyl)sulfamoyl]-N-(5-methyl-2-pyridinyl)benzamide
PubChem CID24816731
Molecular FormulaC21H21N3O3S
Molecular Weight395.48 g/mol
Exact Mass395.13
IUPAC Name3-[ethyl(phenyl)sulfamoyl]-N-(5-methyl-2-pyridinyl)benzamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2ccc(C)cn2)c1
InChIInChI=1S/C21H21N3O3S/c1-3-24(18-9-5-4-6-10-18)28(26,27)19-11-7-8-17(14-19)21(25)23-20-13-12-16(2)15-22-20/h4-15H,3H2,1-2H3,(H,22,23,25)
InChIKeyXOOFZRUETPNNHN-UHFFFAOYSA-N
XLogP3.86
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(phenyl)sulfamoyl]-N-(5-methyl-2-pyridinyl)benzamide?
The IUPAC name of 3-[ethyl(phenyl)sulfamoyl]-N-(5-methyl-2-pyridinyl)benzamide (CID 24816731) is 3-[ethyl(phenyl)sulfamoyl]-N-(5-methyl-2-pyridinyl)benzamide.
What is the SMILES notation for 3-[ethyl(phenyl)sulfamoyl]-N-(5-methyl-2-pyridinyl)benzamide?
The canonical SMILES for 3-[ethyl(phenyl)sulfamoyl]-N-(5-methyl-2-pyridinyl)benzamide is CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2ccc(C)cn2)c1.
What is the InChIKey of 3-[ethyl(phenyl)sulfamoyl]-N-(5-methyl-2-pyridinyl)benzamide?
The InChIKey is XOOFZRUETPNNHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3S/c1-3-24(18-9-5-4-6-10-18)28(26,27)19-11-7-8-17(14-19)21(25)23-20-13-12-16(2)15-22-20/h4-15H,3H2,1-2H3,(H,22,23,25).
What are the key properties of 3-[ethyl(phenyl)sulfamoyl]-N-(5-methyl-2-pyridinyl)benzamide?
3-[ethyl(phenyl)sulfamoyl]-N-(5-methyl-2-pyridinyl)benzamide has a molecular weight of 395.48 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(phenyl)sulfamoyl]-N-(5-methyl-2-pyridinyl)benzamide is sourced from PubChem (CID 24816731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).