3-[(4-methylphenyl)methylsulfamoyl]-N-(pyridin-4-ylmethyl)benzamide

C21H21N3O3S — CID 109064600

IUPAC3-[(4-methylphenyl)methylsulfamoyl]-N-(pyridin-4-ylmethyl)benzamide
SMILESCc1ccc(CNS(=O)(=O)c2cccc(C(=O)NCc3ccncc3)c2)cc1
InChIInChI=1S/C21H21N3O3S/c1-16-5-7-17(8-6-16)15-24-28(26,27)20-4-2-3-19(13-20)21(25)23-14-18-9-11-22-12-10-18/h2-13,24H,14-15H2,1H3,(H,23,25)
InChIKeyKUVCTNNDWCBUHN-UHFFFAOYSA-N
MW395.48 g/mol
LogP2.80
Rot. Bonds7

About 3-[(4-methylphenyl)methylsulfamoyl]-N-(pyridin-4-ylmethyl)benzamide

3-[(4-methylphenyl)methylsulfamoyl]-N-(pyridin-4-ylmethyl)benzamide (PubChem CID 109064600) has the molecular formula C21H21N3O3S and a molecular weight of 395.48 g/mol. Its IUPAC name is 3-[(4-methylphenyl)methylsulfamoyl]-N-(pyridin-4-ylmethyl)benzamide.

Molecular Properties

Compound Name3-[(4-methylphenyl)methylsulfamoyl]-N-(pyridin-4-ylmethyl)benzamide
PubChem CID109064600
Molecular FormulaC21H21N3O3S
Molecular Weight395.48 g/mol
Exact Mass395.13
IUPAC Name3-[(4-methylphenyl)methylsulfamoyl]-N-(pyridin-4-ylmethyl)benzamide
SMILESCc1ccc(CNS(=O)(=O)c2cccc(C(=O)NCc3ccncc3)c2)cc1
InChIInChI=1S/C21H21N3O3S/c1-16-5-7-17(8-6-16)15-24-28(26,27)20-4-2-3-19(13-20)21(25)23-14-18-9-11-22-12-10-18/h2-13,24H,14-15H2,1H3,(H,23,25)
InChIKeyKUVCTNNDWCBUHN-UHFFFAOYSA-N
XLogP2.80
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(dimethylamino)ethylsulfamoyl]-N-(pyridin-4-ylmethyl)benzamide
CID 109063983
N-(pyridin-4-ylmethyl)-3-(pyridin-2-ylmethylsulfamoyl)benzamide
CID 109064781
3-(3-methylbutylsulfamoyl)-N-[(4-methylphenyl)methyl]benzamide
CID 109064621
3-[(3,4-dimethylphenyl)sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide
CID 109064949
3-[[(1S)-1-phenylethyl]sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide
CID 9116780
3-[(4-methylphenyl)sulfamoyl]-N-[[4-(methylsulfonylmethyl)phenyl]methyl]benzamide
CID 55948380
3-(cyclohexylsulfamoyl)-N-(pyridin-4-ylmethyl)benzamide
CID 109063365
N-benzyl-N-methyl-3-(pyridin-4-ylmethylsulfamoyl)benzamide
CID 109064677
3-[(2-methoxyphenyl)sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide
CID 24686310
3-[(2-methylphenyl)methylsulfamoyl]-N-(pyridin-3-ylmethyl)benzamide
CID 109064543
3-(benzylsulfamoyl)-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]benzamide
CID 55717730
3-(benzylsulfamoyl)-N-[(3-bromophenyl)methyl]benzamide
CID 55577848

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylphenyl)methylsulfamoyl]-N-(pyridin-4-ylmethyl)benzamide?
The IUPAC name of 3-[(4-methylphenyl)methylsulfamoyl]-N-(pyridin-4-ylmethyl)benzamide (CID 109064600) is 3-[(4-methylphenyl)methylsulfamoyl]-N-(pyridin-4-ylmethyl)benzamide.
What is the SMILES notation for 3-[(4-methylphenyl)methylsulfamoyl]-N-(pyridin-4-ylmethyl)benzamide?
The canonical SMILES for 3-[(4-methylphenyl)methylsulfamoyl]-N-(pyridin-4-ylmethyl)benzamide is Cc1ccc(CNS(=O)(=O)c2cccc(C(=O)NCc3ccncc3)c2)cc1.
What is the InChIKey of 3-[(4-methylphenyl)methylsulfamoyl]-N-(pyridin-4-ylmethyl)benzamide?
The InChIKey is KUVCTNNDWCBUHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3S/c1-16-5-7-17(8-6-16)15-24-28(26,27)20-4-2-3-19(13-20)21(25)23-14-18-9-11-22-12-10-18/h2-13,24H,14-15H2,1H3,(H,23,25).
What are the key properties of 3-[(4-methylphenyl)methylsulfamoyl]-N-(pyridin-4-ylmethyl)benzamide?
3-[(4-methylphenyl)methylsulfamoyl]-N-(pyridin-4-ylmethyl)benzamide has a molecular weight of 395.48 g/mol, XLogP of 2.80, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylphenyl)methylsulfamoyl]-N-(pyridin-4-ylmethyl)benzamide is sourced from PubChem (CID 109064600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).