2-[(3-fluoro-2-pyridinyl)sulfonylamino]benzenecarboximidamide

C12H11FN4O2S — CID 103308681

IUPAC2-[(3-fluoro-2-pyridinyl)sulfonylamino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccccc1NS(=O)(=O)c1ncccc1F
InChIInChI=1S/C12H11FN4O2S/c13-9-5-3-7-16-12(9)20(18,19)17-10-6-2-1-4-8(10)11(14)15/h1-7,17H,(H3,14,15)
InChIKeyFHQWGQOADYSEOH-UHFFFAOYSA-N
MW294.31 g/mol
LogP1.31
Rot. Bonds4

About 2-[(3-fluoro-2-pyridinyl)sulfonylamino]benzenecarboximidamide

2-[(3-fluoro-2-pyridinyl)sulfonylamino]benzenecarboximidamide (PubChem CID 103308681) has the molecular formula C12H11FN4O2S and a molecular weight of 294.31 g/mol. Its IUPAC name is 2-[(3-fluoro-2-pyridinyl)sulfonylamino]benzenecarboximidamide.

Molecular Properties

Compound Name2-[(3-fluoro-2-pyridinyl)sulfonylamino]benzenecarboximidamide
PubChem CID103308681
Molecular FormulaC12H11FN4O2S
Molecular Weight294.31 g/mol
Exact Mass294.06
IUPAC Name2-[(3-fluoro-2-pyridinyl)sulfonylamino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccccc1NS(=O)(=O)c1ncccc1F
InChIInChI=1S/C12H11FN4O2S/c13-9-5-3-7-16-12(9)20(18,19)17-10-6-2-1-4-8(10)11(14)15/h1-7,17H,(H3,14,15)
InChIKeyFHQWGQOADYSEOH-UHFFFAOYSA-N
XLogP1.31
TPSA108.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-[(3-fluoro-2-pyridinyl)sulfonylamino]benzenecarboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluoro-2-pyridinyl)sulfonylamino]benzenecarboximidamide?
The IUPAC name of 2-[(3-fluoro-2-pyridinyl)sulfonylamino]benzenecarboximidamide (CID 103308681) is 2-[(3-fluoro-2-pyridinyl)sulfonylamino]benzenecarboximidamide.
What is the SMILES notation for 2-[(3-fluoro-2-pyridinyl)sulfonylamino]benzenecarboximidamide?
The canonical SMILES for 2-[(3-fluoro-2-pyridinyl)sulfonylamino]benzenecarboximidamide is [H]/N=C(\N)c1ccccc1NS(=O)(=O)c1ncccc1F.
What is the InChIKey of 2-[(3-fluoro-2-pyridinyl)sulfonylamino]benzenecarboximidamide?
The InChIKey is FHQWGQOADYSEOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN4O2S/c13-9-5-3-7-16-12(9)20(18,19)17-10-6-2-1-4-8(10)11(14)15/h1-7,17H,(H3,14,15).
What are the key properties of 2-[(3-fluoro-2-pyridinyl)sulfonylamino]benzenecarboximidamide?
2-[(3-fluoro-2-pyridinyl)sulfonylamino]benzenecarboximidamide has a molecular weight of 294.31 g/mol, XLogP of 1.31, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluoro-2-pyridinyl)sulfonylamino]benzenecarboximidamide is sourced from PubChem (CID 103308681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).