N'-hydroxy-4-sulfamoylbenzenecarboximidamide;hydrochloride

C7H10ClN3O3S — CID 24834739

IUPACN'-hydroxy-4-sulfamoylbenzenecarboximidamide;hydrochloride
SMILESCl.N/C(=N/O)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C7H9N3O3S.ClH/c8-7(10-11)5-1-3-6(4-2-5)14(9,12)13;/h1-4,11H,(H2,8,10)(H2,9,12,13);1H
InChIKeyJESGJARNEDEHFR-UHFFFAOYSA-N
MW251.69 g/mol
LogP-0.15
Rot. Bonds2

About N'-hydroxy-4-sulfamoylbenzenecarboximidamide;hydrochloride

N'-hydroxy-4-sulfamoylbenzenecarboximidamide;hydrochloride (PubChem CID 24834739) has the molecular formula C7H10ClN3O3S and a molecular weight of 251.69 g/mol. Its IUPAC name is N'-hydroxy-4-sulfamoylbenzenecarboximidamide;hydrochloride.

Molecular Properties

Compound NameN'-hydroxy-4-sulfamoylbenzenecarboximidamide;hydrochloride
PubChem CID24834739
Molecular FormulaC7H10ClN3O3S
Molecular Weight251.69 g/mol
Exact Mass251.01
IUPAC NameN'-hydroxy-4-sulfamoylbenzenecarboximidamide;hydrochloride
SMILESCl.N/C(=N/O)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C7H9N3O3S.ClH/c8-7(10-11)5-1-3-6(4-2-5)14(9,12)13;/h1-4,11H,(H2,8,10)(H2,9,12,13);1H
InChIKeyJESGJARNEDEHFR-UHFFFAOYSA-N
XLogP-0.15
TPSA118.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.69
LogP ≤ 5-0.15
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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Related Compounds

N'-hydroxy-4-(methylsulfamoyl)benzenecarboximidamide
CID 87540671
N'-hydroxy-4-(trifluoromethylsulfonimidoyl)benzenecarboximidamide
CID 152776148
N'-hydroxy-4-[2-[4-(N'-hydroxycarbamimidoyl)phenyl]sulfonylacetyl]benzenecarboximidamide
CID 75969554
4-cyclopentylsulfonyl-N'-hydroxybenzenecarboximidamide
CID 82501901
N'-hydroxy-4-(phenylsulfamoyl)benzenecarboximidamide
CID 89392412
N'-hydroxy-4-[4-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]phenyl]benzenecarboximidamide
CID 135407879
N'-(4-sulfamoylphenyl)benzenecarboximidamide
CID 55159197
4-sulfamoylbenzoyl iodide
CID 88945846
2,2-dimethylpropyl 4-(N'-hydroxycarbamimidoyl)benzenesulfonate
CID 129391102
3-fluoro-N'-hydroxy-4-sulfamoylbenzenecarboximidamide
CID 76644653
N'-hydroxy-4-(4-methylpiperazin-1-yl)sulfonylbenzenecarboximidamide
CID 46951796
potassium 4-sulfamoylbenzoate
CID 23684074

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-sulfamoylbenzenecarboximidamide;hydrochloride?
The IUPAC name of N'-hydroxy-4-sulfamoylbenzenecarboximidamide;hydrochloride (CID 24834739) is N'-hydroxy-4-sulfamoylbenzenecarboximidamide;hydrochloride.
What is the SMILES notation for N'-hydroxy-4-sulfamoylbenzenecarboximidamide;hydrochloride?
The canonical SMILES for N'-hydroxy-4-sulfamoylbenzenecarboximidamide;hydrochloride is Cl.N/C(=N/O)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of N'-hydroxy-4-sulfamoylbenzenecarboximidamide;hydrochloride?
The InChIKey is JESGJARNEDEHFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O3S.ClH/c8-7(10-11)5-1-3-6(4-2-5)14(9,12)13;/h1-4,11H,(H2,8,10)(H2,9,12,13);1H.
What are the key properties of N'-hydroxy-4-sulfamoylbenzenecarboximidamide;hydrochloride?
N'-hydroxy-4-sulfamoylbenzenecarboximidamide;hydrochloride has a molecular weight of 251.69 g/mol, XLogP of -0.15, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-sulfamoylbenzenecarboximidamide;hydrochloride is sourced from PubChem (CID 24834739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).