3-[(2-methoxyphenyl)sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide

C20H19N3O4S — CID 24686310

IUPAC3-[(2-methoxyphenyl)sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide
SMILESCOc1ccccc1NS(=O)(=O)c1cccc(C(=O)NCc2ccncc2)c1
InChIInChI=1S/C20H19N3O4S/c1-27-19-8-3-2-7-18(19)23-28(25,26)17-6-4-5-16(13-17)20(24)22-14-15-9-11-21-12-10-15/h2-13,23H,14H2,1H3,(H,22,24)
InChIKeyWFQCCEBBLGEAFK-UHFFFAOYSA-N
MW397.46 g/mol
LogP2.82
Rot. Bonds7

About 3-[(2-methoxyphenyl)sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide

3-[(2-methoxyphenyl)sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide (PubChem CID 24686310) has the molecular formula C20H19N3O4S and a molecular weight of 397.46 g/mol. Its IUPAC name is 3-[(2-methoxyphenyl)sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide.

Molecular Properties

Compound Name3-[(2-methoxyphenyl)sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide
PubChem CID24686310
Molecular FormulaC20H19N3O4S
Molecular Weight397.46 g/mol
Exact Mass397.11
IUPAC Name3-[(2-methoxyphenyl)sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide
SMILESCOc1ccccc1NS(=O)(=O)c1cccc(C(=O)NCc2ccncc2)c1
InChIInChI=1S/C20H19N3O4S/c1-27-19-8-3-2-7-18(19)23-28(25,26)17-6-4-5-16(13-17)20(24)22-14-15-9-11-21-12-10-15/h2-13,23H,14H2,1H3,(H,22,24)
InChIKeyWFQCCEBBLGEAFK-UHFFFAOYSA-N
XLogP2.82
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.46
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 2329574
3-[(2-cyanophenyl)sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide
CID 109064957
N-[[6-(dimethylamino)-3-pyridinyl]methyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 55621100
3-[(2-methoxyphenyl)sulfamoyl]-N-(2-methylpropyl)benzamide
CID 51163765
N-(2-methoxyphenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 26538254
3-[(3,4-dimethylphenyl)sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide
CID 109064949
N-[(2R)-2-(ethylamino)propyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 120653897
3-[(2-methoxyphenyl)sulfamoyl]-N-(2-methylbutan-2-yl)benzamide
CID 51185857
3-[(4-methylphenyl)methylsulfamoyl]-N-(pyridin-4-ylmethyl)benzamide
CID 109064600
3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide
CID 43002443
3-[[(2-ethoxypyridine-3-carbonyl)amino]carbamoyl]-N-(2-methoxyphenyl)benzenesulfonamide
CID 24540494
N-(2-methoxyphenyl)-3-(2-pyridin-4-ylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 43043956

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methoxyphenyl)sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide?
The IUPAC name of 3-[(2-methoxyphenyl)sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide (CID 24686310) is 3-[(2-methoxyphenyl)sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide.
What is the SMILES notation for 3-[(2-methoxyphenyl)sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide?
The canonical SMILES for 3-[(2-methoxyphenyl)sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide is COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NCc2ccncc2)c1.
What is the InChIKey of 3-[(2-methoxyphenyl)sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide?
The InChIKey is WFQCCEBBLGEAFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4S/c1-27-19-8-3-2-7-18(19)23-28(25,26)17-6-4-5-16(13-17)20(24)22-14-15-9-11-21-12-10-15/h2-13,23H,14H2,1H3,(H,22,24).
What are the key properties of 3-[(2-methoxyphenyl)sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide?
3-[(2-methoxyphenyl)sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide has a molecular weight of 397.46 g/mol, XLogP of 2.82, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methoxyphenyl)sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide is sourced from PubChem (CID 24686310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).