5-(benzylsulfamoyl)-2-methyl-N-(pyridin-2-ylmethyl)benzamide

C21H21N3O3S — CID 24817032

IUPAC5-(benzylsulfamoyl)-2-methyl-N-(pyridin-2-ylmethyl)benzamide
SMILESCc1ccc(S(=O)(=O)NCc2ccccc2)cc1C(=O)NCc1ccccn1
InChIInChI=1S/C21H21N3O3S/c1-16-10-11-19(28(26,27)24-14-17-7-3-2-4-8-17)13-20(16)21(25)23-15-18-9-5-6-12-22-18/h2-13,24H,14-15H2,1H3,(H,23,25)
InChIKeyVKCQIPAOQMTIBL-UHFFFAOYSA-N
MW395.48 g/mol
LogP2.80
Rot. Bonds7

About 5-(benzylsulfamoyl)-2-methyl-N-(pyridin-2-ylmethyl)benzamide

5-(benzylsulfamoyl)-2-methyl-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 24817032) has the molecular formula C21H21N3O3S and a molecular weight of 395.48 g/mol. Its IUPAC name is 5-(benzylsulfamoyl)-2-methyl-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name5-(benzylsulfamoyl)-2-methyl-N-(pyridin-2-ylmethyl)benzamide
PubChem CID24817032
Molecular FormulaC21H21N3O3S
Molecular Weight395.48 g/mol
Exact Mass395.13
IUPAC Name5-(benzylsulfamoyl)-2-methyl-N-(pyridin-2-ylmethyl)benzamide
SMILESCc1ccc(S(=O)(=O)NCc2ccccc2)cc1C(=O)NCc1ccccn1
InChIInChI=1S/C21H21N3O3S/c1-16-10-11-19(28(26,27)24-14-17-7-3-2-4-8-17)13-20(16)21(25)23-15-18-9-5-6-12-22-18/h2-13,24H,14-15H2,1H3,(H,23,25)
InChIKeyVKCQIPAOQMTIBL-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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Frequently Asked Questions

What is the IUPAC name of 5-(benzylsulfamoyl)-2-methyl-N-(pyridin-2-ylmethyl)benzamide?
The IUPAC name of 5-(benzylsulfamoyl)-2-methyl-N-(pyridin-2-ylmethyl)benzamide (CID 24817032) is 5-(benzylsulfamoyl)-2-methyl-N-(pyridin-2-ylmethyl)benzamide.
What is the SMILES notation for 5-(benzylsulfamoyl)-2-methyl-N-(pyridin-2-ylmethyl)benzamide?
The canonical SMILES for 5-(benzylsulfamoyl)-2-methyl-N-(pyridin-2-ylmethyl)benzamide is Cc1ccc(S(=O)(=O)NCc2ccccc2)cc1C(=O)NCc1ccccn1.
What is the InChIKey of 5-(benzylsulfamoyl)-2-methyl-N-(pyridin-2-ylmethyl)benzamide?
The InChIKey is VKCQIPAOQMTIBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3S/c1-16-10-11-19(28(26,27)24-14-17-7-3-2-4-8-17)13-20(16)21(25)23-15-18-9-5-6-12-22-18/h2-13,24H,14-15H2,1H3,(H,23,25).
What are the key properties of 5-(benzylsulfamoyl)-2-methyl-N-(pyridin-2-ylmethyl)benzamide?
5-(benzylsulfamoyl)-2-methyl-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 5-(benzylsulfamoyl)-2-methyl-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 24817032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).