N'-hydroxy-4-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]benzenecarboximidamide

C11H13N5O3S — CID 77021130

IUPACN'-hydroxy-4-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]benzenecarboximidamide
SMILESCc1ncc(S(=O)(=O)Nc2ccc(C(N)=NO)cc2)[nH]1
InChIInChI=1S/C11H13N5O3S/c1-7-13-6-10(14-7)20(18,19)16-9-4-2-8(3-5-9)11(12)15-17/h2-6,16-17H,1H3,(H2,12,15)(H,13,14)
InChIKeyVXOKPJIBAMZBEW-UHFFFAOYSA-N
MW295.32 g/mol
LogP0.61
Rot. Bonds4

About N'-hydroxy-4-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]benzenecarboximidamide

N'-hydroxy-4-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]benzenecarboximidamide (PubChem CID 77021130) has the molecular formula C11H13N5O3S and a molecular weight of 295.32 g/mol. Its IUPAC name is N'-hydroxy-4-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]benzenecarboximidamide
PubChem CID77021130
Molecular FormulaC11H13N5O3S
Molecular Weight295.32 g/mol
Exact Mass295.07
IUPAC NameN'-hydroxy-4-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]benzenecarboximidamide
SMILESCc1ncc(S(=O)(=O)Nc2ccc(C(N)=NO)cc2)[nH]1
InChIInChI=1S/C11H13N5O3S/c1-7-13-6-10(14-7)20(18,19)16-9-4-2-8(3-5-9)11(12)15-17/h2-6,16-17H,1H3,(H2,12,15)(H,13,14)
InChIKeyVXOKPJIBAMZBEW-UHFFFAOYSA-N
XLogP0.61
TPSA133.46 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 50.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]benzenecarboximidamide?
The IUPAC name of N'-hydroxy-4-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]benzenecarboximidamide (CID 77021130) is N'-hydroxy-4-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-4-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-4-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]benzenecarboximidamide is Cc1ncc(S(=O)(=O)Nc2ccc(C(N)=NO)cc2)[nH]1.
What is the InChIKey of N'-hydroxy-4-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]benzenecarboximidamide?
The InChIKey is VXOKPJIBAMZBEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O3S/c1-7-13-6-10(14-7)20(18,19)16-9-4-2-8(3-5-9)11(12)15-17/h2-6,16-17H,1H3,(H2,12,15)(H,13,14).
What are the key properties of N'-hydroxy-4-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]benzenecarboximidamide?
N'-hydroxy-4-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]benzenecarboximidamide has a molecular weight of 295.32 g/mol, XLogP of 0.61, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]benzenecarboximidamide is sourced from PubChem (CID 77021130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).