2-fluoro-N'-hydroxy-5-(sulfamoylamino)benzenecarboximidamide

C7H9FN4O3S — CID 114959563

IUPAC2-fluoro-N'-hydroxy-5-(sulfamoylamino)benzenecarboximidamide
SMILESN/C(=N/O)c1cc(NS(N)(=O)=O)ccc1F
InChIInChI=1S/C7H9FN4O3S/c8-6-2-1-4(12-16(10,14)15)3-5(6)7(9)11-13/h1-3,12-13H,(H2,9,11)(H2,10,14,15)
InChIKeyCSAZASSNUQSKOP-UHFFFAOYSA-N
MW248.24 g/mol
LogP-0.46
Rot. Bonds3

About 2-fluoro-N'-hydroxy-5-(sulfamoylamino)benzenecarboximidamide

2-fluoro-N'-hydroxy-5-(sulfamoylamino)benzenecarboximidamide (PubChem CID 114959563) has the molecular formula C7H9FN4O3S and a molecular weight of 248.24 g/mol. Its IUPAC name is 2-fluoro-N'-hydroxy-5-(sulfamoylamino)benzenecarboximidamide.

Molecular Properties

Compound Name2-fluoro-N'-hydroxy-5-(sulfamoylamino)benzenecarboximidamide
PubChem CID114959563
Molecular FormulaC7H9FN4O3S
Molecular Weight248.24 g/mol
Exact Mass248.04
IUPAC Name2-fluoro-N'-hydroxy-5-(sulfamoylamino)benzenecarboximidamide
SMILESN/C(=N/O)c1cc(NS(N)(=O)=O)ccc1F
InChIInChI=1S/C7H9FN4O3S/c8-6-2-1-4(12-16(10,14)15)3-5(6)7(9)11-13/h1-3,12-13H,(H2,9,11)(H2,10,14,15)
InChIKeyCSAZASSNUQSKOP-UHFFFAOYSA-N
XLogP-0.46
TPSA130.80 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 5-0.46
H-Bond Donors ≤ 54
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 2-fluoro-N'-hydroxy-5-(sulfamoylamino)benzenecarboximidamide?
The IUPAC name of 2-fluoro-N'-hydroxy-5-(sulfamoylamino)benzenecarboximidamide (CID 114959563) is 2-fluoro-N'-hydroxy-5-(sulfamoylamino)benzenecarboximidamide.
What is the SMILES notation for 2-fluoro-N'-hydroxy-5-(sulfamoylamino)benzenecarboximidamide?
The canonical SMILES for 2-fluoro-N'-hydroxy-5-(sulfamoylamino)benzenecarboximidamide is N/C(=N/O)c1cc(NS(N)(=O)=O)ccc1F.
What is the InChIKey of 2-fluoro-N'-hydroxy-5-(sulfamoylamino)benzenecarboximidamide?
The InChIKey is CSAZASSNUQSKOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FN4O3S/c8-6-2-1-4(12-16(10,14)15)3-5(6)7(9)11-13/h1-3,12-13H,(H2,9,11)(H2,10,14,15).
What are the key properties of 2-fluoro-N'-hydroxy-5-(sulfamoylamino)benzenecarboximidamide?
2-fluoro-N'-hydroxy-5-(sulfamoylamino)benzenecarboximidamide has a molecular weight of 248.24 g/mol, XLogP of -0.46, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N'-hydroxy-5-(sulfamoylamino)benzenecarboximidamide is sourced from PubChem (CID 114959563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).