3-[methyl-(4-methylphenyl)sulfamoyl]-N-(5-methyl-2-pyridinyl)benzamide

C21H21N3O3S — CID 24979469

IUPAC3-[methyl-(4-methylphenyl)sulfamoyl]-N-(5-methyl-2-pyridinyl)benzamide
SMILESCc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3ccc(C)cn3)c2)cc1
InChIInChI=1S/C21H21N3O3S/c1-15-7-10-18(11-8-15)24(3)28(26,27)19-6-4-5-17(13-19)21(25)23-20-12-9-16(2)14-22-20/h4-14H,1-3H3,(H,22,23,25)
InChIKeyMIFNKMUJYZBBJD-UHFFFAOYSA-N
MW395.48 g/mol
LogP3.78
Rot. Bonds5

About 3-[methyl-(4-methylphenyl)sulfamoyl]-N-(5-methyl-2-pyridinyl)benzamide

3-[methyl-(4-methylphenyl)sulfamoyl]-N-(5-methyl-2-pyridinyl)benzamide (PubChem CID 24979469) has the molecular formula C21H21N3O3S and a molecular weight of 395.48 g/mol. Its IUPAC name is 3-[methyl-(4-methylphenyl)sulfamoyl]-N-(5-methyl-2-pyridinyl)benzamide.

Molecular Properties

Compound Name3-[methyl-(4-methylphenyl)sulfamoyl]-N-(5-methyl-2-pyridinyl)benzamide
PubChem CID24979469
Molecular FormulaC21H21N3O3S
Molecular Weight395.48 g/mol
Exact Mass395.13
IUPAC Name3-[methyl-(4-methylphenyl)sulfamoyl]-N-(5-methyl-2-pyridinyl)benzamide
SMILESCc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3ccc(C)cn3)c2)cc1
InChIInChI=1S/C21H21N3O3S/c1-15-7-10-18(11-8-15)24(3)28(26,27)19-6-4-5-17(13-19)21(25)23-20-12-9-16(2)14-22-20/h4-14H,1-3H3,(H,22,23,25)
InChIKeyMIFNKMUJYZBBJD-UHFFFAOYSA-N
XLogP3.78
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[methyl-(4-methylphenyl)sulfamoyl]-N-(5-methyl-2-pyridinyl)benzamide?
The IUPAC name of 3-[methyl-(4-methylphenyl)sulfamoyl]-N-(5-methyl-2-pyridinyl)benzamide (CID 24979469) is 3-[methyl-(4-methylphenyl)sulfamoyl]-N-(5-methyl-2-pyridinyl)benzamide.
What is the SMILES notation for 3-[methyl-(4-methylphenyl)sulfamoyl]-N-(5-methyl-2-pyridinyl)benzamide?
The canonical SMILES for 3-[methyl-(4-methylphenyl)sulfamoyl]-N-(5-methyl-2-pyridinyl)benzamide is Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3ccc(C)cn3)c2)cc1.
What is the InChIKey of 3-[methyl-(4-methylphenyl)sulfamoyl]-N-(5-methyl-2-pyridinyl)benzamide?
The InChIKey is MIFNKMUJYZBBJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3S/c1-15-7-10-18(11-8-15)24(3)28(26,27)19-6-4-5-17(13-19)21(25)23-20-12-9-16(2)14-22-20/h4-14H,1-3H3,(H,22,23,25).
What are the key properties of 3-[methyl-(4-methylphenyl)sulfamoyl]-N-(5-methyl-2-pyridinyl)benzamide?
3-[methyl-(4-methylphenyl)sulfamoyl]-N-(5-methyl-2-pyridinyl)benzamide has a molecular weight of 395.48 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-(4-methylphenyl)sulfamoyl]-N-(5-methyl-2-pyridinyl)benzamide is sourced from PubChem (CID 24979469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).