N-(5-fluoro-3-pyridinyl)-3-nitrobenzenesulfonamide

C11H8FN3O4S — CID 110872405

IUPACN-(5-fluoro-3-pyridinyl)-3-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1cccc(S(=O)(=O)Nc2cncc(F)c2)c1
InChIInChI=1S/C11H8FN3O4S/c12-8-4-9(7-13-6-8)14-20(18,19)11-3-1-2-10(5-11)15(16)17/h1-7,14H
InChIKeyONCFEKATAWXYCJ-UHFFFAOYSA-N
MW297.27 g/mol
LogP1.93
Rot. Bonds4

About N-(5-fluoro-3-pyridinyl)-3-nitrobenzenesulfonamide

N-(5-fluoro-3-pyridinyl)-3-nitrobenzenesulfonamide (PubChem CID 110872405) has the molecular formula C11H8FN3O4S and a molecular weight of 297.27 g/mol. Its IUPAC name is N-(5-fluoro-3-pyridinyl)-3-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-(5-fluoro-3-pyridinyl)-3-nitrobenzenesulfonamide
PubChem CID110872405
Molecular FormulaC11H8FN3O4S
Molecular Weight297.27 g/mol
Exact Mass297.02
IUPAC NameN-(5-fluoro-3-pyridinyl)-3-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1cccc(S(=O)(=O)Nc2cncc(F)c2)c1
InChIInChI=1S/C11H8FN3O4S/c12-8-4-9(7-13-6-8)14-20(18,19)11-3-1-2-10(5-11)15(16)17/h1-7,14H
InChIKeyONCFEKATAWXYCJ-UHFFFAOYSA-N
XLogP1.93
TPSA102.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.27
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-(5-fluoro-3-pyridinyl)benzenesulfonamide
CID 110872403
N-(5-fluoro-3-pyridinyl)-3-methylbenzenesulfonamide
CID 110872378
N-(4-bromophenyl)-3-nitrobenzenesulfonamide
CID 598510
N-(4-methylphenyl)-3-nitrobenzenesulfonamide;hydrate
CID 90481492
N-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-3-nitrobenzenesulfonamide
CID 22202678
N-(4-fluorophenyl)-4-[(3-nitrophenyl)sulfonylamino]benzamide
CID 26594001
N-(2-methyl-4-pyridinyl)-3-nitrobenzenesulfonamide
CID 110756916
3-amino-N-(3-fluoro-5-nitrophenyl)benzenesulfonamide
CID 107335361
[3-[(3-nitrophenyl)sulfonylamino]phenyl]boronic acid
CID 52940009
N-(4-chloro-3-nitrophenyl)-3-nitrobenzenesulfonamide
CID 19203778
N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-3-nitrobenzenesulfonamide
CID 4647141
3-[(3-nitrophenyl)sulfonylamino]benzoate
CID 7452082

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-3-pyridinyl)-3-nitrobenzenesulfonamide?
The IUPAC name of N-(5-fluoro-3-pyridinyl)-3-nitrobenzenesulfonamide (CID 110872405) is N-(5-fluoro-3-pyridinyl)-3-nitrobenzenesulfonamide.
What is the SMILES notation for N-(5-fluoro-3-pyridinyl)-3-nitrobenzenesulfonamide?
The canonical SMILES for N-(5-fluoro-3-pyridinyl)-3-nitrobenzenesulfonamide is O=[N+]([O-])c1cccc(S(=O)(=O)Nc2cncc(F)c2)c1.
What is the InChIKey of N-(5-fluoro-3-pyridinyl)-3-nitrobenzenesulfonamide?
The InChIKey is ONCFEKATAWXYCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FN3O4S/c12-8-4-9(7-13-6-8)14-20(18,19)11-3-1-2-10(5-11)15(16)17/h1-7,14H.
What are the key properties of N-(5-fluoro-3-pyridinyl)-3-nitrobenzenesulfonamide?
N-(5-fluoro-3-pyridinyl)-3-nitrobenzenesulfonamide has a molecular weight of 297.27 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-3-pyridinyl)-3-nitrobenzenesulfonamide is sourced from PubChem (CID 110872405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).