2-ethyl-2-[(5-fluoro-3-pyridinyl)sulfonylamino]-N'-hydroxybutanimidamide

C11H17FN4O3S — CID 76923070

IUPAC2-ethyl-2-[(5-fluoro-3-pyridinyl)sulfonylamino]-N'-hydroxybutanimidamide
SMILESCCC(CC)(NS(=O)(=O)c1cncc(F)c1)C(N)=NO
InChIInChI=1S/C11H17FN4O3S/c1-3-11(4-2,10(13)15-17)16-20(18,19)9-5-8(12)6-14-7-9/h5-7,16-17H,3-4H2,1-2H3,(H2,13,15)
InChIKeySEAYTBAYEMAIHA-UHFFFAOYSA-N
MW304.35 g/mol
LogP0.80
Rot. Bonds6

About 2-ethyl-2-[(5-fluoro-3-pyridinyl)sulfonylamino]-N'-hydroxybutanimidamide

2-ethyl-2-[(5-fluoro-3-pyridinyl)sulfonylamino]-N'-hydroxybutanimidamide (PubChem CID 76923070) has the molecular formula C11H17FN4O3S and a molecular weight of 304.35 g/mol. Its IUPAC name is 2-ethyl-2-[(5-fluoro-3-pyridinyl)sulfonylamino]-N'-hydroxybutanimidamide.

Molecular Properties

Compound Name2-ethyl-2-[(5-fluoro-3-pyridinyl)sulfonylamino]-N'-hydroxybutanimidamide
PubChem CID76923070
Molecular FormulaC11H17FN4O3S
Molecular Weight304.35 g/mol
Exact Mass304.10
IUPAC Name2-ethyl-2-[(5-fluoro-3-pyridinyl)sulfonylamino]-N'-hydroxybutanimidamide
SMILESCCC(CC)(NS(=O)(=O)c1cncc(F)c1)C(N)=NO
InChIInChI=1S/C11H17FN4O3S/c1-3-11(4-2,10(13)15-17)16-20(18,19)9-5-8(12)6-14-7-9/h5-7,16-17H,3-4H2,1-2H3,(H2,13,15)
InChIKeySEAYTBAYEMAIHA-UHFFFAOYSA-N
XLogP0.80
TPSA117.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 50.80
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-ethyl-2-[(5-fluoro-3-pyridinyl)sulfonylamino]-N'-hydroxybutanimidamide?
The IUPAC name of 2-ethyl-2-[(5-fluoro-3-pyridinyl)sulfonylamino]-N'-hydroxybutanimidamide (CID 76923070) is 2-ethyl-2-[(5-fluoro-3-pyridinyl)sulfonylamino]-N'-hydroxybutanimidamide.
What is the SMILES notation for 2-ethyl-2-[(5-fluoro-3-pyridinyl)sulfonylamino]-N'-hydroxybutanimidamide?
The canonical SMILES for 2-ethyl-2-[(5-fluoro-3-pyridinyl)sulfonylamino]-N'-hydroxybutanimidamide is CCC(CC)(NS(=O)(=O)c1cncc(F)c1)C(N)=NO.
What is the InChIKey of 2-ethyl-2-[(5-fluoro-3-pyridinyl)sulfonylamino]-N'-hydroxybutanimidamide?
The InChIKey is SEAYTBAYEMAIHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN4O3S/c1-3-11(4-2,10(13)15-17)16-20(18,19)9-5-8(12)6-14-7-9/h5-7,16-17H,3-4H2,1-2H3,(H2,13,15).
What are the key properties of 2-ethyl-2-[(5-fluoro-3-pyridinyl)sulfonylamino]-N'-hydroxybutanimidamide?
2-ethyl-2-[(5-fluoro-3-pyridinyl)sulfonylamino]-N'-hydroxybutanimidamide has a molecular weight of 304.35 g/mol, XLogP of 0.80, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[(5-fluoro-3-pyridinyl)sulfonylamino]-N'-hydroxybutanimidamide is sourced from PubChem (CID 76923070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).