N-(pyridin-4-ylmethyl)-3-(pyridin-2-ylmethylsulfamoyl)benzamide

C19H18N4O3S — CID 109064781

IUPACN-(pyridin-4-ylmethyl)-3-(pyridin-2-ylmethylsulfamoyl)benzamide
SMILESO=C(NCc1ccncc1)c1cccc(S(=O)(=O)NCc2ccccn2)c1
InChIInChI=1S/C19H18N4O3S/c24-19(22-13-15-7-10-20-11-8-15)16-4-3-6-18(12-16)27(25,26)23-14-17-5-1-2-9-21-17/h1-12,23H,13-14H2,(H,22,24)
InChIKeyUVESXMNPRUNZIK-UHFFFAOYSA-N
MW382.45 g/mol
LogP1.89
Rot. Bonds7

About N-(pyridin-4-ylmethyl)-3-(pyridin-2-ylmethylsulfamoyl)benzamide

N-(pyridin-4-ylmethyl)-3-(pyridin-2-ylmethylsulfamoyl)benzamide (PubChem CID 109064781) has the molecular formula C19H18N4O3S and a molecular weight of 382.45 g/mol. Its IUPAC name is N-(pyridin-4-ylmethyl)-3-(pyridin-2-ylmethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(pyridin-4-ylmethyl)-3-(pyridin-2-ylmethylsulfamoyl)benzamide
PubChem CID109064781
Molecular FormulaC19H18N4O3S
Molecular Weight382.45 g/mol
Exact Mass382.11
IUPAC NameN-(pyridin-4-ylmethyl)-3-(pyridin-2-ylmethylsulfamoyl)benzamide
SMILESO=C(NCc1ccncc1)c1cccc(S(=O)(=O)NCc2ccccn2)c1
InChIInChI=1S/C19H18N4O3S/c24-19(22-13-15-7-10-20-11-8-15)16-4-3-6-18(12-16)27(25,26)23-14-17-5-1-2-9-21-17/h1-12,23H,13-14H2,(H,22,24)
InChIKeyUVESXMNPRUNZIK-UHFFFAOYSA-N
XLogP1.89
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.45
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-methylphenyl)methylsulfamoyl]-N-(pyridin-4-ylmethyl)benzamide
CID 109064600
3-[(2-methylphenyl)methylsulfamoyl]-N-(pyridin-2-ylmethyl)benzamide
CID 109064542
N-(3-methylbutyl)-3-(pyridin-2-ylmethylsulfamoyl)benzamide
CID 109064786
3-[2-(dimethylamino)ethylsulfamoyl]-N-(pyridin-4-ylmethyl)benzamide
CID 109063983
N-(2-ethylphenyl)-3-(pyridin-2-ylmethylsulfamoyl)benzamide
CID 109064805
N-benzyl-N-methyl-3-(pyridin-2-ylmethylsulfamoyl)benzamide
CID 109064675
3-(cyclohexylsulfamoyl)-N-(pyridin-4-ylmethyl)benzamide
CID 109063365
3-[[(1S)-1-phenylethyl]sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide
CID 9116780
3-[(2-cyanophenyl)sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide
CID 109064957
pyridin-2-ylmethyl 3-(benzylsulfamoyl)benzoate
CID 18136103
3-[methyl(phenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide
CID 26591232
3-[(3,4-dimethylphenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide
CID 109064830

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-4-ylmethyl)-3-(pyridin-2-ylmethylsulfamoyl)benzamide?
The IUPAC name of N-(pyridin-4-ylmethyl)-3-(pyridin-2-ylmethylsulfamoyl)benzamide (CID 109064781) is N-(pyridin-4-ylmethyl)-3-(pyridin-2-ylmethylsulfamoyl)benzamide.
What is the SMILES notation for N-(pyridin-4-ylmethyl)-3-(pyridin-2-ylmethylsulfamoyl)benzamide?
The canonical SMILES for N-(pyridin-4-ylmethyl)-3-(pyridin-2-ylmethylsulfamoyl)benzamide is O=C(NCc1ccncc1)c1cccc(S(=O)(=O)NCc2ccccn2)c1.
What is the InChIKey of N-(pyridin-4-ylmethyl)-3-(pyridin-2-ylmethylsulfamoyl)benzamide?
The InChIKey is UVESXMNPRUNZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3S/c24-19(22-13-15-7-10-20-11-8-15)16-4-3-6-18(12-16)27(25,26)23-14-17-5-1-2-9-21-17/h1-12,23H,13-14H2,(H,22,24).
What are the key properties of N-(pyridin-4-ylmethyl)-3-(pyridin-2-ylmethylsulfamoyl)benzamide?
N-(pyridin-4-ylmethyl)-3-(pyridin-2-ylmethylsulfamoyl)benzamide has a molecular weight of 382.45 g/mol, XLogP of 1.89, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-4-ylmethyl)-3-(pyridin-2-ylmethylsulfamoyl)benzamide is sourced from PubChem (CID 109064781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).