N'-hydroxy-3-methoxy-2-(1H-pyrazol-4-ylsulfonylamino)benzenecarboximidamide

C11H13N5O4S — CID 107469796

IUPACN'-hydroxy-3-methoxy-2-(1H-pyrazol-4-ylsulfonylamino)benzenecarboximidamide
SMILESCOc1cccc(/C(N)=N/O)c1NS(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C11H13N5O4S/c1-20-9-4-2-3-8(11(12)15-17)10(9)16-21(18,19)7-5-13-14-6-7/h2-6,16-17H,1H3,(H2,12,15)(H,13,14)
InChIKeyGSZRSVGPQNGACT-UHFFFAOYSA-N
MW311.32 g/mol
LogP0.31
Rot. Bonds5

About N'-hydroxy-3-methoxy-2-(1H-pyrazol-4-ylsulfonylamino)benzenecarboximidamide

N'-hydroxy-3-methoxy-2-(1H-pyrazol-4-ylsulfonylamino)benzenecarboximidamide (PubChem CID 107469796) has the molecular formula C11H13N5O4S and a molecular weight of 311.32 g/mol. Its IUPAC name is N'-hydroxy-3-methoxy-2-(1H-pyrazol-4-ylsulfonylamino)benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-3-methoxy-2-(1H-pyrazol-4-ylsulfonylamino)benzenecarboximidamide
PubChem CID107469796
Molecular FormulaC11H13N5O4S
Molecular Weight311.32 g/mol
Exact Mass311.07
IUPAC NameN'-hydroxy-3-methoxy-2-(1H-pyrazol-4-ylsulfonylamino)benzenecarboximidamide
SMILESCOc1cccc(/C(N)=N/O)c1NS(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C11H13N5O4S/c1-20-9-4-2-3-8(11(12)15-17)10(9)16-21(18,19)7-5-13-14-6-7/h2-6,16-17H,1H3,(H2,12,15)(H,13,14)
InChIKeyGSZRSVGPQNGACT-UHFFFAOYSA-N
XLogP0.31
TPSA142.69 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.32
LogP ≤ 50.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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-3-methoxy-2-(1H-pyrazol-4-ylsulfonylamino)benzenecarboximidamide?
The IUPAC name of N'-hydroxy-3-methoxy-2-(1H-pyrazol-4-ylsulfonylamino)benzenecarboximidamide (CID 107469796) is N'-hydroxy-3-methoxy-2-(1H-pyrazol-4-ylsulfonylamino)benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-3-methoxy-2-(1H-pyrazol-4-ylsulfonylamino)benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-3-methoxy-2-(1H-pyrazol-4-ylsulfonylamino)benzenecarboximidamide is COc1cccc(/C(N)=N/O)c1NS(=O)(=O)c1cn[nH]c1.
What is the InChIKey of N'-hydroxy-3-methoxy-2-(1H-pyrazol-4-ylsulfonylamino)benzenecarboximidamide?
The InChIKey is GSZRSVGPQNGACT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O4S/c1-20-9-4-2-3-8(11(12)15-17)10(9)16-21(18,19)7-5-13-14-6-7/h2-6,16-17H,1H3,(H2,12,15)(H,13,14).
What are the key properties of N'-hydroxy-3-methoxy-2-(1H-pyrazol-4-ylsulfonylamino)benzenecarboximidamide?
N'-hydroxy-3-methoxy-2-(1H-pyrazol-4-ylsulfonylamino)benzenecarboximidamide has a molecular weight of 311.32 g/mol, XLogP of 0.31, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-methoxy-2-(1H-pyrazol-4-ylsulfonylamino)benzenecarboximidamide is sourced from PubChem (CID 107469796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).