3-[(2,4-dimethylphenyl)sulfamoyl]-N-(4-methyl-2-pyridinyl)benzamide

C21H21N3O3S — CID 2347598

IUPAC3-[(2,4-dimethylphenyl)sulfamoyl]-N-(4-methyl-2-pyridinyl)benzamide
SMILESCc1ccnc(NC(=O)c2cccc(S(=O)(=O)Nc3ccc(C)cc3C)c2)c1
InChIInChI=1S/C21H21N3O3S/c1-14-7-8-19(16(3)11-14)24-28(26,27)18-6-4-5-17(13-18)21(25)23-20-12-15(2)9-10-22-20/h4-13,24H,1-3H3,(H,22,23,25)
InChIKeyBZFJCENYUSJUIY-UHFFFAOYSA-N
MW395.48 g/mol
LogP4.06
Rot. Bonds5

About 3-[(2,4-dimethylphenyl)sulfamoyl]-N-(4-methyl-2-pyridinyl)benzamide

3-[(2,4-dimethylphenyl)sulfamoyl]-N-(4-methyl-2-pyridinyl)benzamide (PubChem CID 2347598) has the molecular formula C21H21N3O3S and a molecular weight of 395.48 g/mol. Its IUPAC name is 3-[(2,4-dimethylphenyl)sulfamoyl]-N-(4-methyl-2-pyridinyl)benzamide.

Molecular Properties

Compound Name3-[(2,4-dimethylphenyl)sulfamoyl]-N-(4-methyl-2-pyridinyl)benzamide
PubChem CID2347598
Molecular FormulaC21H21N3O3S
Molecular Weight395.48 g/mol
Exact Mass395.13
IUPAC Name3-[(2,4-dimethylphenyl)sulfamoyl]-N-(4-methyl-2-pyridinyl)benzamide
SMILESCc1ccnc(NC(=O)c2cccc(S(=O)(=O)Nc3ccc(C)cc3C)c2)c1
InChIInChI=1S/C21H21N3O3S/c1-14-7-8-19(16(3)11-14)24-28(26,27)18-6-4-5-17(13-18)21(25)23-20-12-15(2)9-10-22-20/h4-13,24H,1-3H3,(H,22,23,25)
InChIKeyBZFJCENYUSJUIY-UHFFFAOYSA-N
XLogP4.06
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dimethylphenyl)sulfamoyl]-N-(4-methyl-2-pyridinyl)benzamide?
The IUPAC name of 3-[(2,4-dimethylphenyl)sulfamoyl]-N-(4-methyl-2-pyridinyl)benzamide (CID 2347598) is 3-[(2,4-dimethylphenyl)sulfamoyl]-N-(4-methyl-2-pyridinyl)benzamide.
What is the SMILES notation for 3-[(2,4-dimethylphenyl)sulfamoyl]-N-(4-methyl-2-pyridinyl)benzamide?
The canonical SMILES for 3-[(2,4-dimethylphenyl)sulfamoyl]-N-(4-methyl-2-pyridinyl)benzamide is Cc1ccnc(NC(=O)c2cccc(S(=O)(=O)Nc3ccc(C)cc3C)c2)c1.
What is the InChIKey of 3-[(2,4-dimethylphenyl)sulfamoyl]-N-(4-methyl-2-pyridinyl)benzamide?
The InChIKey is BZFJCENYUSJUIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3S/c1-14-7-8-19(16(3)11-14)24-28(26,27)18-6-4-5-17(13-18)21(25)23-20-12-15(2)9-10-22-20/h4-13,24H,1-3H3,(H,22,23,25).
What are the key properties of 3-[(2,4-dimethylphenyl)sulfamoyl]-N-(4-methyl-2-pyridinyl)benzamide?
3-[(2,4-dimethylphenyl)sulfamoyl]-N-(4-methyl-2-pyridinyl)benzamide has a molecular weight of 395.48 g/mol, XLogP of 4.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dimethylphenyl)sulfamoyl]-N-(4-methyl-2-pyridinyl)benzamide is sourced from PubChem (CID 2347598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).