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

C20H19N3O3S — CID 4801676

IUPAC4-[methyl(phenyl)sulfamoyl]-N-(pyridin-3-ylmethyl)benzamide
SMILESCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)NCc2cccnc2)cc1
InChIInChI=1S/C20H19N3O3S/c1-23(18-7-3-2-4-8-18)27(25,26)19-11-9-17(10-12-19)20(24)22-15-16-6-5-13-21-14-16/h2-14H,15H2,1H3,(H,22,24)
InChIKeyWQWIOQOROFCNOY-UHFFFAOYSA-N
MW381.46 g/mol
LogP2.84
Rot. Bonds6

About 4-[methyl(phenyl)sulfamoyl]-N-(pyridin-3-ylmethyl)benzamide

4-[methyl(phenyl)sulfamoyl]-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 4801676) has the molecular formula C20H19N3O3S and a molecular weight of 381.46 g/mol. Its IUPAC name is 4-[methyl(phenyl)sulfamoyl]-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[methyl(phenyl)sulfamoyl]-N-(pyridin-3-ylmethyl)benzamide
PubChem CID4801676
Molecular FormulaC20H19N3O3S
Molecular Weight381.46 g/mol
Exact Mass381.11
IUPAC Name4-[methyl(phenyl)sulfamoyl]-N-(pyridin-3-ylmethyl)benzamide
SMILESCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)NCc2cccnc2)cc1
InChIInChI=1S/C20H19N3O3S/c1-23(18-7-3-2-4-8-18)27(25,26)19-11-9-17(10-12-19)20(24)22-15-16-6-5-13-21-14-16/h2-14H,15H2,1H3,(H,22,24)
InChIKeyWQWIOQOROFCNOY-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

N-[(4-methylphenyl)methyl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 4801142
pyridin-3-ylmethyl 4-[methyl(phenyl)sulfamoyl]benzoate
CID 18083751
4-[(N-methylsulfonylanilino)methyl]-N-(pyridin-3-ylmethyl)benzamide
CID 1107721
N-(1,3-benzodioxol-5-ylmethyl)-4-[methyl(phenyl)sulfamoyl]benzamide
CID 2477773
4-[methyl(phenyl)sulfamoyl]-N-propylbenzamide
CID 2432115
4-[methyl(phenyl)sulfamoyl]-N-(4-phenylbutyl)benzamide
CID 18207252
4-(dimethylsulfamoyl)-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]benzamide
CID 55708038
4-[ethyl(ethylsulfonyl)amino]-N-(pyridin-3-ylmethyl)benzamide
CID 50945648
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 87043414
N-(2-phenylethyl)-4-(pyridin-3-ylmethylsulfamoyl)benzamide
CID 109060926
4-[(4-methylphenyl)sulfonylmethyl]-N-(pyridin-3-ylmethyl)benzamide
CID 87000480
2-(N-(4-methylphenyl)sulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide
CID 1137913

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(phenyl)sulfamoyl]-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 4-[methyl(phenyl)sulfamoyl]-N-(pyridin-3-ylmethyl)benzamide (CID 4801676) is 4-[methyl(phenyl)sulfamoyl]-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 4-[methyl(phenyl)sulfamoyl]-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 4-[methyl(phenyl)sulfamoyl]-N-(pyridin-3-ylmethyl)benzamide is CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)NCc2cccnc2)cc1.
What is the InChIKey of 4-[methyl(phenyl)sulfamoyl]-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is WQWIOQOROFCNOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3S/c1-23(18-7-3-2-4-8-18)27(25,26)19-11-9-17(10-12-19)20(24)22-15-16-6-5-13-21-14-16/h2-14H,15H2,1H3,(H,22,24).
What are the key properties of 4-[methyl(phenyl)sulfamoyl]-N-(pyridin-3-ylmethyl)benzamide?
4-[methyl(phenyl)sulfamoyl]-N-(pyridin-3-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-3-ylmethyl)benzamide is sourced from PubChem (CID 4801676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).