3-[(2-methylphenyl)methylsulfamoyl]-N-(pyridin-2-ylmethyl)benzamide

C21H21N3O3S — CID 109064542

IUPAC3-[(2-methylphenyl)methylsulfamoyl]-N-(pyridin-2-ylmethyl)benzamide
SMILESCc1ccccc1CNS(=O)(=O)c1cccc(C(=O)NCc2ccccn2)c1
InChIInChI=1S/C21H21N3O3S/c1-16-7-2-3-8-18(16)14-24-28(26,27)20-11-6-9-17(13-20)21(25)23-15-19-10-4-5-12-22-19/h2-13,24H,14-15H2,1H3,(H,23,25)
InChIKeyBOBFTAXXIYRTCZ-UHFFFAOYSA-N
MW395.48 g/mol
LogP2.80
Rot. Bonds7

About 3-[(2-methylphenyl)methylsulfamoyl]-N-(pyridin-2-ylmethyl)benzamide

3-[(2-methylphenyl)methylsulfamoyl]-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 109064542) has the molecular formula C21H21N3O3S and a molecular weight of 395.48 g/mol. Its IUPAC name is 3-[(2-methylphenyl)methylsulfamoyl]-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-[(2-methylphenyl)methylsulfamoyl]-N-(pyridin-2-ylmethyl)benzamide
PubChem CID109064542
Molecular FormulaC21H21N3O3S
Molecular Weight395.48 g/mol
Exact Mass395.13
IUPAC Name3-[(2-methylphenyl)methylsulfamoyl]-N-(pyridin-2-ylmethyl)benzamide
SMILESCc1ccccc1CNS(=O)(=O)c1cccc(C(=O)NCc2ccccn2)c1
InChIInChI=1S/C21H21N3O3S/c1-16-7-2-3-8-18(16)14-24-28(26,27)20-11-6-9-17(13-20)21(25)23-15-19-10-4-5-12-22-19/h2-13,24H,14-15H2,1H3,(H,23,25)
InChIKeyBOBFTAXXIYRTCZ-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-methylphenyl)methylsulfamoyl]-N-(pyridin-3-ylmethyl)benzamide
CID 109064543
N-(pyridin-4-ylmethyl)-3-(pyridin-2-ylmethylsulfamoyl)benzamide
CID 109064781
3-[(3,4-dimethylphenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide
CID 109064830
N-[(2-methylphenyl)methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 9429337
N-(3-methylbutyl)-3-(pyridin-2-ylmethylsulfamoyl)benzamide
CID 109064786
N-(2-ethylphenyl)-3-(pyridin-2-ylmethylsulfamoyl)benzamide
CID 109064805
3-(furan-2-ylmethylsulfamoyl)-N-[(2-methylphenyl)methyl]benzamide
CID 35612745
3-N-[(2-methylphenyl)methyl]-5-N-(pyridin-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109105096
3-[2-(dimethylamino)ethylsulfamoyl]-N-[(2-methylphenyl)methyl]benzamide
CID 109063969
3-[methyl(phenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide
CID 26591232
3-(3-methoxypropylsulfamoyl)-N-[(2-methylphenyl)methyl]benzamide
CID 109063719
4-[(2-fluorophenyl)methylsulfamoyl]-N-(pyridin-2-ylmethyl)benzamide
CID 109060757

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylphenyl)methylsulfamoyl]-N-(pyridin-2-ylmethyl)benzamide?
The IUPAC name of 3-[(2-methylphenyl)methylsulfamoyl]-N-(pyridin-2-ylmethyl)benzamide (CID 109064542) is 3-[(2-methylphenyl)methylsulfamoyl]-N-(pyridin-2-ylmethyl)benzamide.
What is the SMILES notation for 3-[(2-methylphenyl)methylsulfamoyl]-N-(pyridin-2-ylmethyl)benzamide?
The canonical SMILES for 3-[(2-methylphenyl)methylsulfamoyl]-N-(pyridin-2-ylmethyl)benzamide is Cc1ccccc1CNS(=O)(=O)c1cccc(C(=O)NCc2ccccn2)c1.
What is the InChIKey of 3-[(2-methylphenyl)methylsulfamoyl]-N-(pyridin-2-ylmethyl)benzamide?
The InChIKey is BOBFTAXXIYRTCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3S/c1-16-7-2-3-8-18(16)14-24-28(26,27)20-11-6-9-17(13-20)21(25)23-15-19-10-4-5-12-22-19/h2-13,24H,14-15H2,1H3,(H,23,25).
What are the key properties of 3-[(2-methylphenyl)methylsulfamoyl]-N-(pyridin-2-ylmethyl)benzamide?
3-[(2-methylphenyl)methylsulfamoyl]-N-(pyridin-2-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-[(2-methylphenyl)methylsulfamoyl]-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 109064542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).