N-[(5-fluoro-2-pyridinyl)sulfonyl]-N-(methylamino)methanimidamide

C7H9FN4O2S — CID 176937888

IUPACN-[(5-fluoro-2-pyridinyl)sulfonyl]-N-(methylamino)methanimidamide
SMILES[H]/N=C/N(NC)S(=O)(=O)c1ccc(F)cn1
InChIInChI=1S/C7H9FN4O2S/c1-10-12(5-9)15(13,14)7-3-2-6(8)4-11-7/h2-5,9-10H,1H3/b9-5+
InChIKeyWPRWFCXBNISVKN-WEVVVXLNSA-N
MW232.24 g/mol
LogP-0.05
Rot. Bonds4

About N-[(5-fluoro-2-pyridinyl)sulfonyl]-N-(methylamino)methanimidamide

N-[(5-fluoro-2-pyridinyl)sulfonyl]-N-(methylamino)methanimidamide (PubChem CID 176937888) has the molecular formula C7H9FN4O2S and a molecular weight of 232.24 g/mol. Its IUPAC name is N-[(5-fluoro-2-pyridinyl)sulfonyl]-N-(methylamino)methanimidamide.

Molecular Properties

Compound NameN-[(5-fluoro-2-pyridinyl)sulfonyl]-N-(methylamino)methanimidamide
PubChem CID176937888
Molecular FormulaC7H9FN4O2S
Molecular Weight232.24 g/mol
Exact Mass232.04
IUPAC NameN-[(5-fluoro-2-pyridinyl)sulfonyl]-N-(methylamino)methanimidamide
SMILES[H]/N=C/N(NC)S(=O)(=O)c1ccc(F)cn1
InChIInChI=1S/C7H9FN4O2S/c1-10-12(5-9)15(13,14)7-3-2-6(8)4-11-7/h2-5,9-10H,1H3/b9-5+
InChIKeyWPRWFCXBNISVKN-WEVVVXLNSA-N
XLogP-0.05
TPSA86.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Pyridine-3-sulfonamide
CID 232710
Pyridine sulfonamide
CID 12000791
Gtps (ssre-018)
CID 146030227
5-Methyl-2-pyridinesulfonamide
CID 3614199
Pyridine-2-sulfonyl Fluoride
CID 11615218
1-Oxidopyridin-1-ium-2-sulfonamide
CID 15417762
5-(Trifluoromethyl)pyridine-2-sulfonamide
CID 444983
3-Methylpyridine-2-sulfonamide
CID 12295469
N-Methyl-3-pyridinesulfonamide
CID 13032981
3-Fluoropyridine-2-sulfonamide
CID 19957930
4-Fluoropyridine-2-sulfonyl chloride
CID 55279476
5-Fluoropyridine-2-sulfonamide
CID 61727849

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-2-pyridinyl)sulfonyl]-N-(methylamino)methanimidamide?
The IUPAC name of N-[(5-fluoro-2-pyridinyl)sulfonyl]-N-(methylamino)methanimidamide (CID 176937888) is N-[(5-fluoro-2-pyridinyl)sulfonyl]-N-(methylamino)methanimidamide.
What is the SMILES notation for N-[(5-fluoro-2-pyridinyl)sulfonyl]-N-(methylamino)methanimidamide?
The canonical SMILES for N-[(5-fluoro-2-pyridinyl)sulfonyl]-N-(methylamino)methanimidamide is [H]/N=C/N(NC)S(=O)(=O)c1ccc(F)cn1.
What is the InChIKey of N-[(5-fluoro-2-pyridinyl)sulfonyl]-N-(methylamino)methanimidamide?
The InChIKey is WPRWFCXBNISVKN-WEVVVXLNSA-N. The full InChI is InChI=1S/C7H9FN4O2S/c1-10-12(5-9)15(13,14)7-3-2-6(8)4-11-7/h2-5,9-10H,1H3/b9-5+.
What are the key properties of N-[(5-fluoro-2-pyridinyl)sulfonyl]-N-(methylamino)methanimidamide?
N-[(5-fluoro-2-pyridinyl)sulfonyl]-N-(methylamino)methanimidamide has a molecular weight of 232.24 g/mol, XLogP of -0.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-2-pyridinyl)sulfonyl]-N-(methylamino)methanimidamide is sourced from PubChem (CID 176937888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).