2-[2-(cyclopropylsulfonylamino)phenoxy]-N'-hydroxyethanimidamide

C11H15N3O4S — CID 77046512

IUPAC2-[2-(cyclopropylsulfonylamino)phenoxy]-N'-hydroxyethanimidamide
SMILESNC(COc1ccccc1NS(=O)(=O)C1CC1)=NO
InChIInChI=1S/C11H15N3O4S/c12-11(13-15)7-18-10-4-2-1-3-9(10)14-19(16,17)8-5-6-8/h1-4,8,14-15H,5-7H2,(H2,12,13)
InChIKeyACYDRORSDHEWPI-UHFFFAOYSA-N
MW285.33 g/mol
LogP0.72
Rot. Bonds6

About 2-[2-(cyclopropylsulfonylamino)phenoxy]-N'-hydroxyethanimidamide

2-[2-(cyclopropylsulfonylamino)phenoxy]-N'-hydroxyethanimidamide (PubChem CID 77046512) has the molecular formula C11H15N3O4S and a molecular weight of 285.33 g/mol. Its IUPAC name is 2-[2-(cyclopropylsulfonylamino)phenoxy]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[2-(cyclopropylsulfonylamino)phenoxy]-N'-hydroxyethanimidamide
PubChem CID77046512
Molecular FormulaC11H15N3O4S
Molecular Weight285.33 g/mol
Exact Mass285.08
IUPAC Name2-[2-(cyclopropylsulfonylamino)phenoxy]-N'-hydroxyethanimidamide
SMILESNC(COc1ccccc1NS(=O)(=O)C1CC1)=NO
InChIInChI=1S/C11H15N3O4S/c12-11(13-15)7-18-10-4-2-1-3-9(10)14-19(16,17)8-5-6-8/h1-4,8,14-15H,5-7H2,(H2,12,13)
InChIKeyACYDRORSDHEWPI-UHFFFAOYSA-N
XLogP0.72
TPSA114.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 50.72
H-Bond Donors ≤ 53
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 2-[2-(cyclopropylsulfonylamino)phenoxy]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[2-(cyclopropylsulfonylamino)phenoxy]-N'-hydroxyethanimidamide (CID 77046512) is 2-[2-(cyclopropylsulfonylamino)phenoxy]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[2-(cyclopropylsulfonylamino)phenoxy]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[2-(cyclopropylsulfonylamino)phenoxy]-N'-hydroxyethanimidamide is NC(COc1ccccc1NS(=O)(=O)C1CC1)=NO.
What is the InChIKey of 2-[2-(cyclopropylsulfonylamino)phenoxy]-N'-hydroxyethanimidamide?
The InChIKey is ACYDRORSDHEWPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4S/c12-11(13-15)7-18-10-4-2-1-3-9(10)14-19(16,17)8-5-6-8/h1-4,8,14-15H,5-7H2,(H2,12,13).
What are the key properties of 2-[2-(cyclopropylsulfonylamino)phenoxy]-N'-hydroxyethanimidamide?
2-[2-(cyclopropylsulfonylamino)phenoxy]-N'-hydroxyethanimidamide has a molecular weight of 285.33 g/mol, XLogP of 0.72, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclopropylsulfonylamino)phenoxy]-N'-hydroxyethanimidamide is sourced from PubChem (CID 77046512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).