3-[(2-fluorophenyl)sulfonyl-methylamino]-N'-hydroxy-2-methylpropanimidamide

C11H16FN3O3S — CID 54992091

IUPAC3-[(2-fluorophenyl)sulfonyl-methylamino]-N'-hydroxy-2-methylpropanimidamide
SMILESCC(CN(C)S(=O)(=O)c1ccccc1F)/C(N)=N/O
InChIInChI=1S/C11H16FN3O3S/c1-8(11(13)14-16)7-15(2)19(17,18)10-6-4-3-5-9(10)12/h3-6,8,16H,7H2,1-2H3,(H2,13,14)
InChIKeyWZKYGIDABSHPEP-UHFFFAOYSA-N
MW289.33 g/mol
LogP0.83
Rot. Bonds5

About 3-[(2-fluorophenyl)sulfonyl-methylamino]-N'-hydroxy-2-methylpropanimidamide

3-[(2-fluorophenyl)sulfonyl-methylamino]-N'-hydroxy-2-methylpropanimidamide (PubChem CID 54992091) has the molecular formula C11H16FN3O3S and a molecular weight of 289.33 g/mol. Its IUPAC name is 3-[(2-fluorophenyl)sulfonyl-methylamino]-N'-hydroxy-2-methylpropanimidamide.

Molecular Properties

Compound Name3-[(2-fluorophenyl)sulfonyl-methylamino]-N'-hydroxy-2-methylpropanimidamide
PubChem CID54992091
Molecular FormulaC11H16FN3O3S
Molecular Weight289.33 g/mol
Exact Mass289.09
IUPAC Name3-[(2-fluorophenyl)sulfonyl-methylamino]-N'-hydroxy-2-methylpropanimidamide
SMILESCC(CN(C)S(=O)(=O)c1ccccc1F)/C(N)=N/O
InChIInChI=1S/C11H16FN3O3S/c1-8(11(13)14-16)7-15(2)19(17,18)10-6-4-3-5-9(10)12/h3-6,8,16H,7H2,1-2H3,(H2,13,14)
InChIKeyWZKYGIDABSHPEP-UHFFFAOYSA-N
XLogP0.83
TPSA95.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 50.83
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-[(2-fluorophenyl)sulfonyl-methylamino]-N'-hydroxy-2-methylpropanimidamide?
The IUPAC name of 3-[(2-fluorophenyl)sulfonyl-methylamino]-N'-hydroxy-2-methylpropanimidamide (CID 54992091) is 3-[(2-fluorophenyl)sulfonyl-methylamino]-N'-hydroxy-2-methylpropanimidamide.
What is the SMILES notation for 3-[(2-fluorophenyl)sulfonyl-methylamino]-N'-hydroxy-2-methylpropanimidamide?
The canonical SMILES for 3-[(2-fluorophenyl)sulfonyl-methylamino]-N'-hydroxy-2-methylpropanimidamide is CC(CN(C)S(=O)(=O)c1ccccc1F)/C(N)=N/O.
What is the InChIKey of 3-[(2-fluorophenyl)sulfonyl-methylamino]-N'-hydroxy-2-methylpropanimidamide?
The InChIKey is WZKYGIDABSHPEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O3S/c1-8(11(13)14-16)7-15(2)19(17,18)10-6-4-3-5-9(10)12/h3-6,8,16H,7H2,1-2H3,(H2,13,14).
What are the key properties of 3-[(2-fluorophenyl)sulfonyl-methylamino]-N'-hydroxy-2-methylpropanimidamide?
3-[(2-fluorophenyl)sulfonyl-methylamino]-N'-hydroxy-2-methylpropanimidamide has a molecular weight of 289.33 g/mol, XLogP of 0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluorophenyl)sulfonyl-methylamino]-N'-hydroxy-2-methylpropanimidamide is sourced from PubChem (CID 54992091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).