N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(pyridin-3-ylsulfamoyl)benzamide

C22H24N4O3S — CID 58924259

IUPACN-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(pyridin-3-ylsulfamoyl)benzamide
SMILESCN(C)Cc1ccc(CNC(=O)c2ccccc2S(=O)(=O)Nc2cccnc2)cc1
InChIInChI=1S/C22H24N4O3S/c1-26(2)16-18-11-9-17(10-12-18)14-24-22(27)20-7-3-4-8-21(20)30(28,29)25-19-6-5-13-23-15-19/h3-13,15,25H,14,16H2,1-2H3,(H,24,27)
InChIKeyCPGWPXPSDOYPPZ-UHFFFAOYSA-N
MW424.53 g/mol
LogP2.87
Rot. Bonds8

About N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(pyridin-3-ylsulfamoyl)benzamide

N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(pyridin-3-ylsulfamoyl)benzamide (PubChem CID 58924259) has the molecular formula C22H24N4O3S and a molecular weight of 424.53 g/mol. Its IUPAC name is N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(pyridin-3-ylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(pyridin-3-ylsulfamoyl)benzamide
PubChem CID58924259
Molecular FormulaC22H24N4O3S
Molecular Weight424.53 g/mol
Exact Mass424.16
IUPAC NameN-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(pyridin-3-ylsulfamoyl)benzamide
SMILESCN(C)Cc1ccc(CNC(=O)c2ccccc2S(=O)(=O)Nc2cccnc2)cc1
InChIInChI=1S/C22H24N4O3S/c1-26(2)16-18-11-9-17(10-12-18)14-24-22(27)20-7-3-4-8-21(20)30(28,29)25-19-6-5-13-23-15-19/h3-13,15,25H,14,16H2,1-2H3,(H,24,27)
InChIKeyCPGWPXPSDOYPPZ-UHFFFAOYSA-N
XLogP2.87
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.53
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-methoxyphenyl)methyl]-2-(pyridin-3-ylsulfamoyl)benzamide
CID 58924237
N-[(3,4-difluorophenyl)methyl]-2-(pyridin-3-ylsulfamoyl)benzamide
CID 58924303
N-benzyl-N-ethyl-2-(pyridin-3-ylsulfamoyl)benzamide
CID 58924072
2-methylsulfonyl-N-(pyridin-3-ylmethyl)benzamide
CID 4670957
2-[(5-methoxy-3-pyridinyl)sulfamoyl]-N-[(4-methylsulfonylphenyl)methyl]benzamide
CID 58924134
2-methyl-3-(pyridin-3-ylsulfamoyl)benzoic acid
CID 63742304
N-[(3,4-difluorophenyl)methyl]-2-[(5-methoxy-3-pyridinyl)sulfamoyl]benzamide
CID 58924121
N-[(3-chlorophenyl)methyl]-2-[(5-methoxy-3-pyridinyl)sulfamoyl]benzamide
CID 58924260
2-N-(2-methoxyethyl)-2-N-methyl-1-N-pyridin-3-ylbenzene-1,2-disulfonamide
CID 122152668
2-(4-methoxypiperidine-1-carbonyl)-N-pyridin-3-ylbenzenesulfonamide
CID 58924135
2-[(2,5-dimethylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide
CID 29238976
2-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-N-pyridin-3-ylbenzenesulfonamide
CID 58924251

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(pyridin-3-ylsulfamoyl)benzamide?
The IUPAC name of N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(pyridin-3-ylsulfamoyl)benzamide (CID 58924259) is N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(pyridin-3-ylsulfamoyl)benzamide.
What is the SMILES notation for N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(pyridin-3-ylsulfamoyl)benzamide?
The canonical SMILES for N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(pyridin-3-ylsulfamoyl)benzamide is CN(C)Cc1ccc(CNC(=O)c2ccccc2S(=O)(=O)Nc2cccnc2)cc1.
What is the InChIKey of N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(pyridin-3-ylsulfamoyl)benzamide?
The InChIKey is CPGWPXPSDOYPPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3S/c1-26(2)16-18-11-9-17(10-12-18)14-24-22(27)20-7-3-4-8-21(20)30(28,29)25-19-6-5-13-23-15-19/h3-13,15,25H,14,16H2,1-2H3,(H,24,27).
What are the key properties of N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(pyridin-3-ylsulfamoyl)benzamide?
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(pyridin-3-ylsulfamoyl)benzamide has a molecular weight of 424.53 g/mol, XLogP of 2.87, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(pyridin-3-ylsulfamoyl)benzamide is sourced from PubChem (CID 58924259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).