N'-hydroxy-4-(methylsulfamoyl)benzenecarboximidamide

C8H11N3O3S — CID 87540671

IUPACN'-hydroxy-4-(methylsulfamoyl)benzenecarboximidamide
SMILESCNS(=O)(=O)c1ccc(/C(N)=N/O)cc1
InChIInChI=1S/C8H11N3O3S/c1-10-15(13,14)7-4-2-6(3-5-7)8(9)11-12/h2-5,10,12H,1H3,(H2,9,11)
InChIKeyHNRINYYAKPVESE-UHFFFAOYSA-N
MW229.26 g/mol
LogP-0.31
Rot. Bonds3

About N'-hydroxy-4-(methylsulfamoyl)benzenecarboximidamide

N'-hydroxy-4-(methylsulfamoyl)benzenecarboximidamide (PubChem CID 87540671) has the molecular formula C8H11N3O3S and a molecular weight of 229.26 g/mol. Its IUPAC name is N'-hydroxy-4-(methylsulfamoyl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-(methylsulfamoyl)benzenecarboximidamide
PubChem CID87540671
Molecular FormulaC8H11N3O3S
Molecular Weight229.26 g/mol
Exact Mass229.05
IUPAC NameN'-hydroxy-4-(methylsulfamoyl)benzenecarboximidamide
SMILESCNS(=O)(=O)c1ccc(/C(N)=N/O)cc1
InChIInChI=1S/C8H11N3O3S/c1-10-15(13,14)7-4-2-6(3-5-7)8(9)11-12/h2-5,10,12H,1H3,(H2,9,11)
InChIKeyHNRINYYAKPVESE-UHFFFAOYSA-N
XLogP-0.31
TPSA104.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.26
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-(methylsulfamoyl)benzenecarboximidamide?
The IUPAC name of N'-hydroxy-4-(methylsulfamoyl)benzenecarboximidamide (CID 87540671) is N'-hydroxy-4-(methylsulfamoyl)benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-4-(methylsulfamoyl)benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-4-(methylsulfamoyl)benzenecarboximidamide is CNS(=O)(=O)c1ccc(/C(N)=N/O)cc1.
What is the InChIKey of N'-hydroxy-4-(methylsulfamoyl)benzenecarboximidamide?
The InChIKey is HNRINYYAKPVESE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3S/c1-10-15(13,14)7-4-2-6(3-5-7)8(9)11-12/h2-5,10,12H,1H3,(H2,9,11).
What are the key properties of N'-hydroxy-4-(methylsulfamoyl)benzenecarboximidamide?
N'-hydroxy-4-(methylsulfamoyl)benzenecarboximidamide has a molecular weight of 229.26 g/mol, XLogP of -0.31, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-(methylsulfamoyl)benzenecarboximidamide is sourced from PubChem (CID 87540671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).