N'-hydroxy-2-[2-(1H-imidazol-5-ylsulfonylamino)phenoxy]ethanimidamide

C11H13N5O4S — CID 77021280

IUPACN'-hydroxy-2-[2-(1H-imidazol-5-ylsulfonylamino)phenoxy]ethanimidamide
SMILESNC(COc1ccccc1NS(=O)(=O)c1cnc[nH]1)=NO
InChIInChI=1S/C11H13N5O4S/c12-10(15-17)6-20-9-4-2-1-3-8(9)16-21(18,19)11-5-13-7-14-11/h1-5,7,16-17H,6H2,(H2,12,15)(H,13,14)
InChIKeyPIGZZOLDUVDKEK-UHFFFAOYSA-N
MW311.32 g/mol
LogP0.34
Rot. Bonds6

About N'-hydroxy-2-[2-(1H-imidazol-5-ylsulfonylamino)phenoxy]ethanimidamide

N'-hydroxy-2-[2-(1H-imidazol-5-ylsulfonylamino)phenoxy]ethanimidamide (PubChem CID 77021280) has the molecular formula C11H13N5O4S and a molecular weight of 311.32 g/mol. Its IUPAC name is N'-hydroxy-2-[2-(1H-imidazol-5-ylsulfonylamino)phenoxy]ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[2-(1H-imidazol-5-ylsulfonylamino)phenoxy]ethanimidamide
PubChem CID77021280
Molecular FormulaC11H13N5O4S
Molecular Weight311.32 g/mol
Exact Mass311.07
IUPAC NameN'-hydroxy-2-[2-(1H-imidazol-5-ylsulfonylamino)phenoxy]ethanimidamide
SMILESNC(COc1ccccc1NS(=O)(=O)c1cnc[nH]1)=NO
InChIInChI=1S/C11H13N5O4S/c12-10(15-17)6-20-9-4-2-1-3-8(9)16-21(18,19)11-5-13-7-14-11/h1-5,7,16-17H,6H2,(H2,12,15)(H,13,14)
InChIKeyPIGZZOLDUVDKEK-UHFFFAOYSA-N
XLogP0.34
TPSA142.69 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.32
LogP ≤ 50.34
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-2-[2-(1H-imidazol-5-ylsulfonylamino)phenoxy]ethanimidamide?
The IUPAC name of N'-hydroxy-2-[2-(1H-imidazol-5-ylsulfonylamino)phenoxy]ethanimidamide (CID 77021280) is N'-hydroxy-2-[2-(1H-imidazol-5-ylsulfonylamino)phenoxy]ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-[2-(1H-imidazol-5-ylsulfonylamino)phenoxy]ethanimidamide?
The canonical SMILES for N'-hydroxy-2-[2-(1H-imidazol-5-ylsulfonylamino)phenoxy]ethanimidamide is NC(COc1ccccc1NS(=O)(=O)c1cnc[nH]1)=NO.
What is the InChIKey of N'-hydroxy-2-[2-(1H-imidazol-5-ylsulfonylamino)phenoxy]ethanimidamide?
The InChIKey is PIGZZOLDUVDKEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O4S/c12-10(15-17)6-20-9-4-2-1-3-8(9)16-21(18,19)11-5-13-7-14-11/h1-5,7,16-17H,6H2,(H2,12,15)(H,13,14).
What are the key properties of N'-hydroxy-2-[2-(1H-imidazol-5-ylsulfonylamino)phenoxy]ethanimidamide?
N'-hydroxy-2-[2-(1H-imidazol-5-ylsulfonylamino)phenoxy]ethanimidamide has a molecular weight of 311.32 g/mol, XLogP of 0.34, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[2-(1H-imidazol-5-ylsulfonylamino)phenoxy]ethanimidamide is sourced from PubChem (CID 77021280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).