3-[2-(dimethylamino)ethylsulfamoyl]-N-(pyridin-4-ylmethyl)benzamide

C17H22N4O3S — CID 109063983

IUPAC3-[2-(dimethylamino)ethylsulfamoyl]-N-(pyridin-4-ylmethyl)benzamide
SMILESCN(C)CCNS(=O)(=O)c1cccc(C(=O)NCc2ccncc2)c1
InChIInChI=1S/C17H22N4O3S/c1-21(2)11-10-20-25(23,24)16-5-3-4-15(12-16)17(22)19-13-14-6-8-18-9-7-14/h3-9,12,20H,10-11,13H2,1-2H3,(H,19,22)
InChIKeyGAPFMGIQBIKEBG-UHFFFAOYSA-N
MW362.46 g/mol
LogP0.85
Rot. Bonds8

About 3-[2-(dimethylamino)ethylsulfamoyl]-N-(pyridin-4-ylmethyl)benzamide

3-[2-(dimethylamino)ethylsulfamoyl]-N-(pyridin-4-ylmethyl)benzamide (PubChem CID 109063983) has the molecular formula C17H22N4O3S and a molecular weight of 362.46 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethylsulfamoyl]-N-(pyridin-4-ylmethyl)benzamide.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethylsulfamoyl]-N-(pyridin-4-ylmethyl)benzamide
PubChem CID109063983
Molecular FormulaC17H22N4O3S
Molecular Weight362.46 g/mol
Exact Mass362.14
IUPAC Name3-[2-(dimethylamino)ethylsulfamoyl]-N-(pyridin-4-ylmethyl)benzamide
SMILESCN(C)CCNS(=O)(=O)c1cccc(C(=O)NCc2ccncc2)c1
InChIInChI=1S/C17H22N4O3S/c1-21(2)11-10-20-25(23,24)16-5-3-4-15(12-16)17(22)19-13-14-6-8-18-9-7-14/h3-9,12,20H,10-11,13H2,1-2H3,(H,19,22)
InChIKeyGAPFMGIQBIKEBG-UHFFFAOYSA-N
XLogP0.85
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-3-[3-(dimethylamino)propylsulfamoyl]benzamide
CID 109064162
3-[(4-methylphenyl)methylsulfamoyl]-N-(pyridin-4-ylmethyl)benzamide
CID 109064600
3-[2-(dimethylamino)ethylsulfamoyl]-N-[(2-methylphenyl)methyl]benzamide
CID 109063969
N-(pyridin-4-ylmethyl)-3-(pyridin-2-ylmethylsulfamoyl)benzamide
CID 109064781
3-[(3,4-dimethylphenyl)sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide
CID 109064949
N-benzyl-3-(propylsulfamoyl)benzamide
CID 9393602
3-[[(1S)-1-phenylethyl]sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide
CID 9116780
N-[2-(dimethylamino)ethyl]-3-propanoylbenzenesulfonamide
CID 39384795
N-(3-chlorophenyl)-3-[2-(dimethylamino)ethylsulfamoyl]benzamide
CID 109064025
3-[(2-cyanophenyl)sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide
CID 109064957
N-benzyl-N-methyl-3-(pyridin-4-ylmethylsulfamoyl)benzamide
CID 109064677
3-(cyclohexylsulfamoyl)-N-(pyridin-4-ylmethyl)benzamide
CID 109063365

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethylsulfamoyl]-N-(pyridin-4-ylmethyl)benzamide?
The IUPAC name of 3-[2-(dimethylamino)ethylsulfamoyl]-N-(pyridin-4-ylmethyl)benzamide (CID 109063983) is 3-[2-(dimethylamino)ethylsulfamoyl]-N-(pyridin-4-ylmethyl)benzamide.
What is the SMILES notation for 3-[2-(dimethylamino)ethylsulfamoyl]-N-(pyridin-4-ylmethyl)benzamide?
The canonical SMILES for 3-[2-(dimethylamino)ethylsulfamoyl]-N-(pyridin-4-ylmethyl)benzamide is CN(C)CCNS(=O)(=O)c1cccc(C(=O)NCc2ccncc2)c1.
What is the InChIKey of 3-[2-(dimethylamino)ethylsulfamoyl]-N-(pyridin-4-ylmethyl)benzamide?
The InChIKey is GAPFMGIQBIKEBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3S/c1-21(2)11-10-20-25(23,24)16-5-3-4-15(12-16)17(22)19-13-14-6-8-18-9-7-14/h3-9,12,20H,10-11,13H2,1-2H3,(H,19,22).
What are the key properties of 3-[2-(dimethylamino)ethylsulfamoyl]-N-(pyridin-4-ylmethyl)benzamide?
3-[2-(dimethylamino)ethylsulfamoyl]-N-(pyridin-4-ylmethyl)benzamide has a molecular weight of 362.46 g/mol, XLogP of 0.85, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethylsulfamoyl]-N-(pyridin-4-ylmethyl)benzamide is sourced from PubChem (CID 109063983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).