2-(benzylamino)-N'-hydrazinyl-5-(methylsulfamoyl)benzenecarboximidamide

C15H20N6O2S — CID 155732609

IUPAC2-(benzylamino)-N'-hydrazinyl-5-(methylsulfamoyl)benzenecarboximidamide
SMILESCNS(=O)(=O)c1ccc(NCc2ccccc2)c(/C(N)=N/NN)c1
InChIInChI=1S/C15H20N6O2S/c1-18-24(22,23)12-7-8-14(13(9-12)15(16)20-21-17)19-10-11-5-3-2-4-6-11/h2-9,18-19,21H,10,17H2,1H3,(H2,16,20)
InChIKeyVOHZSTVSPMGWEU-UHFFFAOYSA-N
MW348.43 g/mol
LogP0.29
Rot. Bonds7

About 2-(benzylamino)-N'-hydrazinyl-5-(methylsulfamoyl)benzenecarboximidamide

2-(benzylamino)-N'-hydrazinyl-5-(methylsulfamoyl)benzenecarboximidamide (PubChem CID 155732609) has the molecular formula C15H20N6O2S and a molecular weight of 348.43 g/mol. Its IUPAC name is 2-(benzylamino)-N'-hydrazinyl-5-(methylsulfamoyl)benzenecarboximidamide.

Molecular Properties

Compound Name2-(benzylamino)-N'-hydrazinyl-5-(methylsulfamoyl)benzenecarboximidamide
PubChem CID155732609
Molecular FormulaC15H20N6O2S
Molecular Weight348.43 g/mol
Exact Mass348.14
IUPAC Name2-(benzylamino)-N'-hydrazinyl-5-(methylsulfamoyl)benzenecarboximidamide
SMILESCNS(=O)(=O)c1ccc(NCc2ccccc2)c(/C(N)=N/NN)c1
InChIInChI=1S/C15H20N6O2S/c1-18-24(22,23)12-7-8-14(13(9-12)15(16)20-21-17)19-10-11-5-3-2-4-6-11/h2-9,18-19,21H,10,17H2,1H3,(H2,16,20)
InChIKeyVOHZSTVSPMGWEU-UHFFFAOYSA-N
XLogP0.29
TPSA134.63 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 50.29
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(benzylamino)-N-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide
CID 155342969
2-(benzylamino)-5-(2-hydroxyethylsulfamoyl)benzoic acid
CID 99983555
3-(benzylamino)-N-methylbenzenesulfonamide
CID 43688532
3-amino-N-methyl-4-(pyridin-4-ylmethylamino)benzenesulfonamide
CID 43449150
4-[(benzylamino)methyl]-N-methylbenzenesulfonamide
CID 139319386
2-(benzylamino)-5-(3-propan-2-yloxypropylsulfamoyl)benzoic acid
CID 99986088
2-(benzylamino)-5-morpholin-4-ylsulfonylbenzamide
CID 171989528
3-[(2-bromo-4-nitroanilino)methyl]-N-methylbenzenesulfonamide
CID 133310845
4-(benzylamino)-N-tert-butyl-3-nitrobenzenesulfonamide
CID 9186791
2-methyl-1-[[3-(methylsulfamoyl)phenyl]methyl]guanidine
CID 110915238
3-amino-4-(benzylamino)-N-(2,6-difluorophenyl)benzenesulfonamide
CID 123971129
2-(3-methylbutylamino)-5-(methylsulfamoyl)benzoic acid
CID 45319790

Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-N'-hydrazinyl-5-(methylsulfamoyl)benzenecarboximidamide?
The IUPAC name of 2-(benzylamino)-N'-hydrazinyl-5-(methylsulfamoyl)benzenecarboximidamide (CID 155732609) is 2-(benzylamino)-N'-hydrazinyl-5-(methylsulfamoyl)benzenecarboximidamide.
What is the SMILES notation for 2-(benzylamino)-N'-hydrazinyl-5-(methylsulfamoyl)benzenecarboximidamide?
The canonical SMILES for 2-(benzylamino)-N'-hydrazinyl-5-(methylsulfamoyl)benzenecarboximidamide is CNS(=O)(=O)c1ccc(NCc2ccccc2)c(/C(N)=N/NN)c1.
What is the InChIKey of 2-(benzylamino)-N'-hydrazinyl-5-(methylsulfamoyl)benzenecarboximidamide?
The InChIKey is VOHZSTVSPMGWEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O2S/c1-18-24(22,23)12-7-8-14(13(9-12)15(16)20-21-17)19-10-11-5-3-2-4-6-11/h2-9,18-19,21H,10,17H2,1H3,(H2,16,20).
What are the key properties of 2-(benzylamino)-N'-hydrazinyl-5-(methylsulfamoyl)benzenecarboximidamide?
2-(benzylamino)-N'-hydrazinyl-5-(methylsulfamoyl)benzenecarboximidamide has a molecular weight of 348.43 g/mol, XLogP of 0.29, 7 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-N'-hydrazinyl-5-(methylsulfamoyl)benzenecarboximidamide is sourced from PubChem (CID 155732609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).