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

C21H21N3O3S — CID 109064949

IUPAC3-[(3,4-dimethylphenyl)sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide
SMILESCc1ccc(NS(=O)(=O)c2cccc(C(=O)NCc3ccncc3)c2)cc1C
InChIInChI=1S/C21H21N3O3S/c1-15-6-7-19(12-16(15)2)24-28(26,27)20-5-3-4-18(13-20)21(25)23-14-17-8-10-22-11-9-17/h3-13,24H,14H2,1-2H3,(H,23,25)
InChIKeyRIZVULXYWIHDME-UHFFFAOYSA-N
MW395.48 g/mol
LogP3.43
Rot. Bonds6

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

3-[(3,4-dimethylphenyl)sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide (PubChem CID 109064949) has the molecular formula C21H21N3O3S and a molecular weight of 395.48 g/mol. Its IUPAC name is 3-[(3,4-dimethylphenyl)sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide.

Molecular Properties

Compound Name3-[(3,4-dimethylphenyl)sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide
PubChem CID109064949
Molecular FormulaC21H21N3O3S
Molecular Weight395.48 g/mol
Exact Mass395.13
IUPAC Name3-[(3,4-dimethylphenyl)sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide
SMILESCc1ccc(NS(=O)(=O)c2cccc(C(=O)NCc3ccncc3)c2)cc1C
InChIInChI=1S/C21H21N3O3S/c1-15-6-7-19(12-16(15)2)24-28(26,27)20-5-3-4-18(13-20)21(25)23-14-17-8-10-22-11-9-17/h3-13,24H,14H2,1-2H3,(H,23,25)
InChIKeyRIZVULXYWIHDME-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

3-[(3,4-dimethylphenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide
CID 109064830
3-[(4-methylphenyl)methylsulfamoyl]-N-(pyridin-4-ylmethyl)benzamide
CID 109064600
3-[(2-methoxyphenyl)sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide
CID 24686310
3-[2-(dimethylamino)ethylsulfamoyl]-N-(pyridin-4-ylmethyl)benzamide
CID 109063983
3-[(2-cyanophenyl)sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide
CID 109064957
N-(3,4-dimethylphenyl)-3-propanoylbenzenesulfonamide
CID 112838625
N-[(4-methoxyphenyl)methyl]-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 18158891
3-(cyclohexylsulfamoyl)-N-(pyridin-4-ylmethyl)benzamide
CID 109063365
3-[(4-methylphenyl)sulfamoyl]-N-[[4-(methylsulfonylmethyl)phenyl]methyl]benzamide
CID 55948380
4-[(3-nitrophenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)benzamide
CID 18107687
N-butan-2-yl-3-[(3,4-dimethylphenyl)sulfamoyl]benzamide
CID 109063056
3-[[(1S)-1-phenylethyl]sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide
CID 9116780

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dimethylphenyl)sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide?
The IUPAC name of 3-[(3,4-dimethylphenyl)sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide (CID 109064949) is 3-[(3,4-dimethylphenyl)sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide.
What is the SMILES notation for 3-[(3,4-dimethylphenyl)sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide?
The canonical SMILES for 3-[(3,4-dimethylphenyl)sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide is Cc1ccc(NS(=O)(=O)c2cccc(C(=O)NCc3ccncc3)c2)cc1C.
What is the InChIKey of 3-[(3,4-dimethylphenyl)sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide?
The InChIKey is RIZVULXYWIHDME-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3S/c1-15-6-7-19(12-16(15)2)24-28(26,27)20-5-3-4-18(13-20)21(25)23-14-17-8-10-22-11-9-17/h3-13,24H,14H2,1-2H3,(H,23,25).
What are the key properties of 3-[(3,4-dimethylphenyl)sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide?
3-[(3,4-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 3-[(3,4-dimethylphenyl)sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide is sourced from PubChem (CID 109064949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).