4-[(3,4-dimethylphenyl)sulfamoyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide

C24H33N3O3S — CID 17498159

IUPAC4-[(3,4-dimethylphenyl)sulfamoyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(C(=O)NC3CC(C)(C)NC(C)(C)C3)cc2)cc1C
InChIInChI=1S/C24H33N3O3S/c1-16-7-10-19(13-17(16)2)26-31(29,30)21-11-8-18(9-12-21)22(28)25-20-14-23(3,4)27-24(5,6)15-20/h7-13,20,26-27H,14-15H2,1-6H3,(H,25,28)
InChIKeyPUWDVRTXLVCXEQ-UHFFFAOYSA-N
MW443.61 g/mol
LogP4.14
Rot. Bonds5

About 4-[(3,4-dimethylphenyl)sulfamoyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide

4-[(3,4-dimethylphenyl)sulfamoyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide (PubChem CID 17498159) has the molecular formula C24H33N3O3S and a molecular weight of 443.61 g/mol. Its IUPAC name is 4-[(3,4-dimethylphenyl)sulfamoyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name4-[(3,4-dimethylphenyl)sulfamoyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
PubChem CID17498159
Molecular FormulaC24H33N3O3S
Molecular Weight443.61 g/mol
Exact Mass443.22
IUPAC Name4-[(3,4-dimethylphenyl)sulfamoyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(C(=O)NC3CC(C)(C)NC(C)(C)C3)cc2)cc1C
InChIInChI=1S/C24H33N3O3S/c1-16-7-10-19(13-17(16)2)26-31(29,30)21-11-8-18(9-12-21)22(28)25-20-14-23(3,4)27-24(5,6)15-20/h7-13,20,26-27H,14-15H2,1-6H3,(H,25,28)
InChIKeyPUWDVRTXLVCXEQ-UHFFFAOYSA-N
XLogP4.14
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.61
LogP ≤ 54.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dimethylphenyl)sulfamoyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide?
The IUPAC name of 4-[(3,4-dimethylphenyl)sulfamoyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide (CID 17498159) is 4-[(3,4-dimethylphenyl)sulfamoyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide.
What is the SMILES notation for 4-[(3,4-dimethylphenyl)sulfamoyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide?
The canonical SMILES for 4-[(3,4-dimethylphenyl)sulfamoyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide is Cc1ccc(NS(=O)(=O)c2ccc(C(=O)NC3CC(C)(C)NC(C)(C)C3)cc2)cc1C.
What is the InChIKey of 4-[(3,4-dimethylphenyl)sulfamoyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide?
The InChIKey is PUWDVRTXLVCXEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O3S/c1-16-7-10-19(13-17(16)2)26-31(29,30)21-11-8-18(9-12-21)22(28)25-20-14-23(3,4)27-24(5,6)15-20/h7-13,20,26-27H,14-15H2,1-6H3,(H,25,28).
What are the key properties of 4-[(3,4-dimethylphenyl)sulfamoyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide?
4-[(3,4-dimethylphenyl)sulfamoyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide has a molecular weight of 443.61 g/mol, XLogP of 4.14, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dimethylphenyl)sulfamoyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide is sourced from PubChem (CID 17498159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).