4-[methyl(phenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide

C20H19N3O3S — CID 2520240

IUPAC4-[methyl(phenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide
SMILESCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)NCc2ccccn2)cc1
InChIInChI=1S/C20H19N3O3S/c1-23(18-8-3-2-4-9-18)27(25,26)19-12-10-16(11-13-19)20(24)22-15-17-7-5-6-14-21-17/h2-14H,15H2,1H3,(H,22,24)
InChIKeyBRMYJAPDIZPEFT-UHFFFAOYSA-N
MW381.46 g/mol
LogP2.84
Rot. Bonds6

About 4-[methyl(phenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide

4-[methyl(phenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 2520240) has the molecular formula C20H19N3O3S and a molecular weight of 381.46 g/mol. Its IUPAC name is 4-[methyl(phenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[methyl(phenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide
PubChem CID2520240
Molecular FormulaC20H19N3O3S
Molecular Weight381.46 g/mol
Exact Mass381.11
IUPAC Name4-[methyl(phenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide
SMILESCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)NCc2ccccn2)cc1
InChIInChI=1S/C20H19N3O3S/c1-23(18-8-3-2-4-9-18)27(25,26)19-12-10-16(11-13-19)20(24)22-15-17-7-5-6-14-21-17/h2-14H,15H2,1H3,(H,22,24)
InChIKeyBRMYJAPDIZPEFT-UHFFFAOYSA-N
XLogP2.84
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[methyl(phenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide?
The IUPAC name of 4-[methyl(phenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide (CID 2520240) is 4-[methyl(phenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide.
What is the SMILES notation for 4-[methyl(phenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide?
The canonical SMILES for 4-[methyl(phenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide is CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)NCc2ccccn2)cc1.
What is the InChIKey of 4-[methyl(phenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide?
The InChIKey is BRMYJAPDIZPEFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3S/c1-23(18-8-3-2-4-9-18)27(25,26)19-12-10-16(11-13-19)20(24)22-15-17-7-5-6-14-21-17/h2-14H,15H2,1H3,(H,22,24).
What are the key properties of 4-[methyl(phenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide?
4-[methyl(phenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide has a molecular weight of 381.46 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(phenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 2520240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).