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

C20H19N3O3S — CID 26591232

IUPAC3-[methyl(phenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide
SMILESCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NCc2ccccn2)c1
InChIInChI=1S/C20H19N3O3S/c1-23(18-10-3-2-4-11-18)27(25,26)19-12-7-8-16(14-19)20(24)22-15-17-9-5-6-13-21-17/h2-14H,15H2,1H3,(H,22,24)
InChIKeyUSLJTRKOTJIURW-UHFFFAOYSA-N
MW381.46 g/mol
LogP2.84
Rot. Bonds6

About 3-[methyl(phenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide

3-[methyl(phenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 26591232) has the molecular formula C20H19N3O3S and a molecular weight of 381.46 g/mol. Its IUPAC name is 3-[methyl(phenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-[methyl(phenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide
PubChem CID26591232
Molecular FormulaC20H19N3O3S
Molecular Weight381.46 g/mol
Exact Mass381.11
IUPAC Name3-[methyl(phenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide
SMILESCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NCc2ccccn2)c1
InChIInChI=1S/C20H19N3O3S/c1-23(18-10-3-2-4-11-18)27(25,26)19-12-7-8-16(14-19)20(24)22-15-17-9-5-6-13-21-17/h2-14H,15H2,1H3,(H,22,24)
InChIKeyUSLJTRKOTJIURW-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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Related Compounds

3-[methyl(phenyl)sulfamoyl]-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide
CID 55901885
2-[benzenesulfonyl(methyl)amino]-N-(pyridin-2-ylmethyl)benzamide
CID 126346032
N-[(2-methoxyphenyl)methyl]-3-[methyl(phenyl)sulfamoyl]benzamide
CID 2713335
3-phenyl-N-(pyridin-2-ylmethyl)benzamide
CID 110724423
4-[methyl(phenyl)sulfamoyl]-N-(2-pyridin-2-ylethyl)benzamide
CID 51164053
3-[(2-methylphenyl)methylsulfamoyl]-N-(pyridin-2-ylmethyl)benzamide
CID 109064542
3-(dimethylsulfamoyl)-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide
CID 55902266
3-[methyl(phenyl)sulfamoyl]-N-[(2R)-2-[[3-[methyl(phenyl)sulfamoyl]benzoyl]amino]propyl]benzamide
CID 92853144
N-[2-(methylamino)propyl]-3-[methyl(phenyl)sulfamoyl]benzamide
CID 120831499
3-[methyl(phenyl)sulfamoyl]-N-[2-[[3-[methyl(phenyl)sulfamoyl]benzoyl]amino]propyl]benzamide
CID 4230999
N-(pyridin-2-ylmethyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 8880625
N-[(2,5-dimethoxyphenyl)methyl]-3-[methyl(phenyl)sulfamoyl]benzamide
CID 92844931

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(phenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide?
The IUPAC name of 3-[methyl(phenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide (CID 26591232) is 3-[methyl(phenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide.
What is the SMILES notation for 3-[methyl(phenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide?
The canonical SMILES for 3-[methyl(phenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide is CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NCc2ccccn2)c1.
What is the InChIKey of 3-[methyl(phenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide?
The InChIKey is USLJTRKOTJIURW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3S/c1-23(18-10-3-2-4-11-18)27(25,26)19-12-7-8-16(14-19)20(24)22-15-17-9-5-6-13-21-17/h2-14H,15H2,1H3,(H,22,24).
What are the key properties of 3-[methyl(phenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide?
3-[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 3-[methyl(phenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 26591232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).