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

C12H11FN4O3S — CID 76923039

IUPAC2-[(5-fluoro-3-pyridinyl)sulfonylamino]-N'-hydroxybenzenecarboximidamide
SMILESNC(=NO)c1ccccc1NS(=O)(=O)c1cncc(F)c1
InChIInChI=1S/C12H11FN4O3S/c13-8-5-9(7-15-6-8)21(19,20)17-11-4-2-1-3-10(11)12(14)16-18/h1-7,17-18H,(H2,14,16)
InChIKeyGOGVVBLSBKRSDS-UHFFFAOYSA-N
MW310.31 g/mol
LogP1.12
Rot. Bonds4

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

2-[(5-fluoro-3-pyridinyl)sulfonylamino]-N'-hydroxybenzenecarboximidamide (PubChem CID 76923039) has the molecular formula C12H11FN4O3S and a molecular weight of 310.31 g/mol. Its IUPAC name is 2-[(5-fluoro-3-pyridinyl)sulfonylamino]-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name2-[(5-fluoro-3-pyridinyl)sulfonylamino]-N'-hydroxybenzenecarboximidamide
PubChem CID76923039
Molecular FormulaC12H11FN4O3S
Molecular Weight310.31 g/mol
Exact Mass310.05
IUPAC Name2-[(5-fluoro-3-pyridinyl)sulfonylamino]-N'-hydroxybenzenecarboximidamide
SMILESNC(=NO)c1ccccc1NS(=O)(=O)c1cncc(F)c1
InChIInChI=1S/C12H11FN4O3S/c13-8-5-9(7-15-6-8)21(19,20)17-11-4-2-1-3-10(11)12(14)16-18/h1-7,17-18H,(H2,14,16)
InChIKeyGOGVVBLSBKRSDS-UHFFFAOYSA-N
XLogP1.12
TPSA117.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 51.12
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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Related Compounds

5-fluoro-N-[2-[(E)-N'-hydroxycarbamimidoyl]phenyl]pyridine-3-carboxamide
CID 104786338
3-bromo-2-[(5-fluoro-3-pyridinyl)sulfonylamino]benzoic acid
CID 63113303
2-ethyl-2-[(5-fluoro-3-pyridinyl)sulfonylamino]-N'-hydroxybutanimidamide
CID 76923070
5-fluoro-N-(6-fluoro-2-pyridinyl)pyridine-3-sulfonamide
CID 113457005
5-fluoro-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)pyridine-3-sulfonamide
CID 114491132
2-[(5-fluoro-3-pyridinyl)sulfonylamino]-4-methoxybenzoic acid
CID 138041129
N-(4-chloro-2-iodophenyl)-5-fluoropyridine-3-sulfonamide
CID 103763977
4-[(5-fluoro-3-pyridinyl)sulfonylamino]benzoic acid
CID 56828319
N-(2-acetylphenyl)-3-fluorobenzenesulfonamide
CID 2526444
N-(3-amino-3-phenylpropyl)-5-fluoropyridine-3-sulfonamide
CID 80505696
2-chloro-5-[(5-fluoro-3-pyridinyl)sulfonylamino]benzoic acid
CID 56828322
N-(4-bromo-2-pyridinyl)-5-fluoropyridine-3-sulfonamide
CID 102671893

Frequently Asked Questions

What is the IUPAC name of 2-[(5-fluoro-3-pyridinyl)sulfonylamino]-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 2-[(5-fluoro-3-pyridinyl)sulfonylamino]-N'-hydroxybenzenecarboximidamide (CID 76923039) is 2-[(5-fluoro-3-pyridinyl)sulfonylamino]-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 2-[(5-fluoro-3-pyridinyl)sulfonylamino]-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 2-[(5-fluoro-3-pyridinyl)sulfonylamino]-N'-hydroxybenzenecarboximidamide is NC(=NO)c1ccccc1NS(=O)(=O)c1cncc(F)c1.
What is the InChIKey of 2-[(5-fluoro-3-pyridinyl)sulfonylamino]-N'-hydroxybenzenecarboximidamide?
The InChIKey is GOGVVBLSBKRSDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN4O3S/c13-8-5-9(7-15-6-8)21(19,20)17-11-4-2-1-3-10(11)12(14)16-18/h1-7,17-18H,(H2,14,16).
What are the key properties of 2-[(5-fluoro-3-pyridinyl)sulfonylamino]-N'-hydroxybenzenecarboximidamide?
2-[(5-fluoro-3-pyridinyl)sulfonylamino]-N'-hydroxybenzenecarboximidamide has a molecular weight of 310.31 g/mol, XLogP of 1.12, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-fluoro-3-pyridinyl)sulfonylamino]-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 76923039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).