N-benzyl-3-[1H-imidazol-2-ylmethyl(methyl)sulfamoyl]benzamide

C19H20N4O3S — CID 72875865

IUPACN-benzyl-3-[1H-imidazol-2-ylmethyl(methyl)sulfamoyl]benzamide
SMILESCN(Cc1ncc[nH]1)S(=O)(=O)c1cccc(C(=O)NCc2ccccc2)c1
InChIInChI=1S/C19H20N4O3S/c1-23(14-18-20-10-11-21-18)27(25,26)17-9-5-8-16(12-17)19(24)22-13-15-6-3-2-4-7-15/h2-12H,13-14H2,1H3,(H,20,21)(H,22,24)
InChIKeyAMIAUPUUQBEXHA-UHFFFAOYSA-N
MW384.46 g/mol
LogP2.16
Rot. Bonds7

About N-benzyl-3-[1H-imidazol-2-ylmethyl(methyl)sulfamoyl]benzamide

N-benzyl-3-[1H-imidazol-2-ylmethyl(methyl)sulfamoyl]benzamide (PubChem CID 72875865) has the molecular formula C19H20N4O3S and a molecular weight of 384.46 g/mol. Its IUPAC name is N-benzyl-3-[1H-imidazol-2-ylmethyl(methyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-benzyl-3-[1H-imidazol-2-ylmethyl(methyl)sulfamoyl]benzamide
PubChem CID72875865
Molecular FormulaC19H20N4O3S
Molecular Weight384.46 g/mol
Exact Mass384.13
IUPAC NameN-benzyl-3-[1H-imidazol-2-ylmethyl(methyl)sulfamoyl]benzamide
SMILESCN(Cc1ncc[nH]1)S(=O)(=O)c1cccc(C(=O)NCc2ccccc2)c1
InChIInChI=1S/C19H20N4O3S/c1-23(14-18-20-10-11-21-18)27(25,26)17-9-5-8-16(12-17)19(24)22-13-15-6-3-2-4-7-15/h2-12H,13-14H2,1H3,(H,20,21)(H,22,24)
InChIKeyAMIAUPUUQBEXHA-UHFFFAOYSA-N
XLogP2.16
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(chloromethyl)-N-(1H-imidazol-2-ylmethyl)-N-methylbenzenesulfonamide
CID 114279758
N-(1H-imidazol-2-ylmethyl)-N-methyl-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 72851775
3-[[1H-imidazol-2-ylmethyl(methyl)sulfamoyl]methyl]benzoic acid
CID 64511823
3-[benzyl(methyl)sulfamoyl]-N-phenylbenzamide
CID 109064666
4-acetyl-N-(1H-imidazol-2-ylmethyl)-N-methylbenzenesulfonamide
CID 64519588
N-benzyl-2-[[3-(dimethylsulfamoyl)benzoyl]amino]benzamide
CID 100624742
N-benzyl-3-[3-(dimethylamino)propylsulfamoyl]benzamide
CID 109064162
3-[1H-imidazol-2-ylmethyl(methyl)carbamoyl]benzoic acid
CID 64516965
3-[benzyl(methyl)sulfamoyl]-N-cyclohexylbenzamide
CID 109063417
3-[methyl(phenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide
CID 26591232
3-(dimethylsulfamoyl)-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide
CID 55902266
2-hydrazinyl-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-4-sulfonamide
CID 64518479

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[1H-imidazol-2-ylmethyl(methyl)sulfamoyl]benzamide?
The IUPAC name of N-benzyl-3-[1H-imidazol-2-ylmethyl(methyl)sulfamoyl]benzamide (CID 72875865) is N-benzyl-3-[1H-imidazol-2-ylmethyl(methyl)sulfamoyl]benzamide.
What is the SMILES notation for N-benzyl-3-[1H-imidazol-2-ylmethyl(methyl)sulfamoyl]benzamide?
The canonical SMILES for N-benzyl-3-[1H-imidazol-2-ylmethyl(methyl)sulfamoyl]benzamide is CN(Cc1ncc[nH]1)S(=O)(=O)c1cccc(C(=O)NCc2ccccc2)c1.
What is the InChIKey of N-benzyl-3-[1H-imidazol-2-ylmethyl(methyl)sulfamoyl]benzamide?
The InChIKey is AMIAUPUUQBEXHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3S/c1-23(14-18-20-10-11-21-18)27(25,26)17-9-5-8-16(12-17)19(24)22-13-15-6-3-2-4-7-15/h2-12H,13-14H2,1H3,(H,20,21)(H,22,24).
What are the key properties of N-benzyl-3-[1H-imidazol-2-ylmethyl(methyl)sulfamoyl]benzamide?
N-benzyl-3-[1H-imidazol-2-ylmethyl(methyl)sulfamoyl]benzamide has a molecular weight of 384.46 g/mol, XLogP of 2.16, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[1H-imidazol-2-ylmethyl(methyl)sulfamoyl]benzamide is sourced from PubChem (CID 72875865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).