4-[(3,5-dimethylphenyl)sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide

C21H21N3O3S — CID 109060958

IUPAC4-[(3,5-dimethylphenyl)sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide
SMILESCc1cc(C)cc(NS(=O)(=O)c2ccc(C(=O)NCc3ccncc3)cc2)c1
InChIInChI=1S/C21H21N3O3S/c1-15-11-16(2)13-19(12-15)24-28(26,27)20-5-3-18(4-6-20)21(25)23-14-17-7-9-22-10-8-17/h3-13,24H,14H2,1-2H3,(H,23,25)
InChIKeyJUSDJCJXCYUVMT-UHFFFAOYSA-N
MW395.48 g/mol
LogP3.43
Rot. Bonds6

About 4-[(3,5-dimethylphenyl)sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide

4-[(3,5-dimethylphenyl)sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide (PubChem CID 109060958) has the molecular formula C21H21N3O3S and a molecular weight of 395.48 g/mol. Its IUPAC name is 4-[(3,5-dimethylphenyl)sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[(3,5-dimethylphenyl)sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide
PubChem CID109060958
Molecular FormulaC21H21N3O3S
Molecular Weight395.48 g/mol
Exact Mass395.13
IUPAC Name4-[(3,5-dimethylphenyl)sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide
SMILESCc1cc(C)cc(NS(=O)(=O)c2ccc(C(=O)NCc3ccncc3)cc2)c1
InChIInChI=1S/C21H21N3O3S/c1-15-11-16(2)13-19(12-15)24-28(26,27)20-5-3-18(4-6-20)21(25)23-14-17-7-9-22-10-8-17/h3-13,24H,14H2,1-2H3,(H,23,25)
InChIKeyJUSDJCJXCYUVMT-UHFFFAOYSA-N
XLogP3.43
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,5-difluorophenyl)methyl]-4-(pyridin-4-ylsulfamoyl)benzamide
CID 36900818
4-[(3-nitrophenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)benzamide
CID 18107687
4-[(4-fluorophenyl)sulfamoyl]-N-[(4-methylphenyl)methyl]benzamide
CID 26850932
3-[(3,4-dimethylphenyl)sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide
CID 109064949
4-(prop-2-enylsulfamoyl)-N-(pyridin-4-ylmethyl)benzamide
CID 45029526
2-(3,5-dimethylanilino)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide
CID 109259148
4-N-(4-methylphenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,4-dicarboxamide
CID 109047754
4-[(3,4-difluorophenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]benzamide
CID 2569077
4-[(3,5-dimethylphenyl)sulfamoyl]-N-phenylbenzamide
CID 109061613
2-N-(3,5-dimethylphenyl)-4-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087538
3-chloro-5-[(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide
CID 139390901
4-(dipropylsulfamoyl)-N-(pyridin-4-ylmethyl)benzamide
CID 109060953

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethylphenyl)sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide?
The IUPAC name of 4-[(3,5-dimethylphenyl)sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide (CID 109060958) is 4-[(3,5-dimethylphenyl)sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide.
What is the SMILES notation for 4-[(3,5-dimethylphenyl)sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide?
The canonical SMILES for 4-[(3,5-dimethylphenyl)sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide is Cc1cc(C)cc(NS(=O)(=O)c2ccc(C(=O)NCc3ccncc3)cc2)c1.
What is the InChIKey of 4-[(3,5-dimethylphenyl)sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide?
The InChIKey is JUSDJCJXCYUVMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3S/c1-15-11-16(2)13-19(12-15)24-28(26,27)20-5-3-18(4-6-20)21(25)23-14-17-7-9-22-10-8-17/h3-13,24H,14H2,1-2H3,(H,23,25).
What are the key properties of 4-[(3,5-dimethylphenyl)sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide?
4-[(3,5-dimethylphenyl)sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide has a molecular weight of 395.48 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethylphenyl)sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide is sourced from PubChem (CID 109060958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).