3-[ethyl-(3-fluorophenyl)sulfonylamino]-N'-hydroxypropanimidamide

C11H16FN3O3S — CID 54992905

IUPAC3-[ethyl-(3-fluorophenyl)sulfonylamino]-N'-hydroxypropanimidamide
SMILESCCN(CC/C(N)=N/O)S(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C11H16FN3O3S/c1-2-15(7-6-11(13)14-16)19(17,18)10-5-3-4-9(12)8-10/h3-5,8,16H,2,6-7H2,1H3,(H2,13,14)
InChIKeyPAQBZKOHOZQYPM-UHFFFAOYSA-N
MW289.33 g/mol
LogP0.97
Rot. Bonds6

About 3-[ethyl-(3-fluorophenyl)sulfonylamino]-N'-hydroxypropanimidamide

3-[ethyl-(3-fluorophenyl)sulfonylamino]-N'-hydroxypropanimidamide (PubChem CID 54992905) has the molecular formula C11H16FN3O3S and a molecular weight of 289.33 g/mol. Its IUPAC name is 3-[ethyl-(3-fluorophenyl)sulfonylamino]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3-[ethyl-(3-fluorophenyl)sulfonylamino]-N'-hydroxypropanimidamide
PubChem CID54992905
Molecular FormulaC11H16FN3O3S
Molecular Weight289.33 g/mol
Exact Mass289.09
IUPAC Name3-[ethyl-(3-fluorophenyl)sulfonylamino]-N'-hydroxypropanimidamide
SMILESCCN(CC/C(N)=N/O)S(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C11H16FN3O3S/c1-2-15(7-6-11(13)14-16)19(17,18)10-5-3-4-9(12)8-10/h3-5,8,16H,2,6-7H2,1H3,(H2,13,14)
InChIKeyPAQBZKOHOZQYPM-UHFFFAOYSA-N
XLogP0.97
TPSA95.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 50.97
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-(3-fluorophenyl)sulfonylamino]-N'-hydroxypropanimidamide?
The IUPAC name of 3-[ethyl-(3-fluorophenyl)sulfonylamino]-N'-hydroxypropanimidamide (CID 54992905) is 3-[ethyl-(3-fluorophenyl)sulfonylamino]-N'-hydroxypropanimidamide.
What is the SMILES notation for 3-[ethyl-(3-fluorophenyl)sulfonylamino]-N'-hydroxypropanimidamide?
The canonical SMILES for 3-[ethyl-(3-fluorophenyl)sulfonylamino]-N'-hydroxypropanimidamide is CCN(CC/C(N)=N/O)S(=O)(=O)c1cccc(F)c1.
What is the InChIKey of 3-[ethyl-(3-fluorophenyl)sulfonylamino]-N'-hydroxypropanimidamide?
The InChIKey is PAQBZKOHOZQYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O3S/c1-2-15(7-6-11(13)14-16)19(17,18)10-5-3-4-9(12)8-10/h3-5,8,16H,2,6-7H2,1H3,(H2,13,14).
What are the key properties of 3-[ethyl-(3-fluorophenyl)sulfonylamino]-N'-hydroxypropanimidamide?
3-[ethyl-(3-fluorophenyl)sulfonylamino]-N'-hydroxypropanimidamide has a molecular weight of 289.33 g/mol, XLogP of 0.97, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-(3-fluorophenyl)sulfonylamino]-N'-hydroxypropanimidamide is sourced from PubChem (CID 54992905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).