2-fluoro-6-nitro-N-piperidin-4-ylbenzenesulfonamide

C11H14FN3O4S — CID 119960637

IUPAC2-fluoro-6-nitro-N-piperidin-4-ylbenzenesulfonamide
SMILESO=[N+]([O-])c1cccc(F)c1S(=O)(=O)NC1CCNCC1
InChIInChI=1S/C11H14FN3O4S/c12-9-2-1-3-10(15(16)17)11(9)20(18,19)14-8-4-6-13-7-5-8/h1-3,8,13-14H,4-7H2
InChIKeyDGPFUOCNNGNVGU-UHFFFAOYSA-N
MW303.31 g/mol
LogP0.76
Rot. Bonds4

About 2-fluoro-6-nitro-N-piperidin-4-ylbenzenesulfonamide

2-fluoro-6-nitro-N-piperidin-4-ylbenzenesulfonamide (PubChem CID 119960637) has the molecular formula C11H14FN3O4S and a molecular weight of 303.31 g/mol. Its IUPAC name is 2-fluoro-6-nitro-N-piperidin-4-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-6-nitro-N-piperidin-4-ylbenzenesulfonamide
PubChem CID119960637
Molecular FormulaC11H14FN3O4S
Molecular Weight303.31 g/mol
Exact Mass303.07
IUPAC Name2-fluoro-6-nitro-N-piperidin-4-ylbenzenesulfonamide
SMILESO=[N+]([O-])c1cccc(F)c1S(=O)(=O)NC1CCNCC1
InChIInChI=1S/C11H14FN3O4S/c12-9-2-1-3-10(15(16)17)11(9)20(18,19)14-8-4-6-13-7-5-8/h1-3,8,13-14H,4-7H2
InChIKeyDGPFUOCNNGNVGU-UHFFFAOYSA-N
XLogP0.76
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.31
LogP ≤ 50.76
H-Bond Donors ≤ 52
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

2-chloro-6-nitro-N-piperidin-4-ylbenzenesulfonamide
CID 119960582
2-fluoro-N-(4-methylpiperidin-3-yl)-6-nitrobenzenesulfonamide;hydrochloride
CID 120722936
2-methyl-3-nitro-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 119960629
2-fluoro-6-nitro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride
CID 119974313
N-[(1R,2S)-2-(aminomethyl)cyclohexyl]-2-fluoro-6-nitrobenzenesulfonamide
CID 99850284
N-cyclopentyl-2-methyl-6-nitrobenzenesulfonamide
CID 47315253
N-[2-(cycloheptylamino)ethyl]-2-fluoro-6-nitrobenzenesulfonamide
CID 119987233
2,4,6-trifluoro-N-piperidin-4-ylbenzenesulfonamide
CID 54881709
3-bromo-4-nitro-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 119960387
2-fluoro-6-nitro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide;hydrochloride
CID 120723462
2,6-dimethyl-4-nitro-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 119960405
2,6-dichloro-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 119960503

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-nitro-N-piperidin-4-ylbenzenesulfonamide?
The IUPAC name of 2-fluoro-6-nitro-N-piperidin-4-ylbenzenesulfonamide (CID 119960637) is 2-fluoro-6-nitro-N-piperidin-4-ylbenzenesulfonamide.
What is the SMILES notation for 2-fluoro-6-nitro-N-piperidin-4-ylbenzenesulfonamide?
The canonical SMILES for 2-fluoro-6-nitro-N-piperidin-4-ylbenzenesulfonamide is O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NC1CCNCC1.
What is the InChIKey of 2-fluoro-6-nitro-N-piperidin-4-ylbenzenesulfonamide?
The InChIKey is DGPFUOCNNGNVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O4S/c12-9-2-1-3-10(15(16)17)11(9)20(18,19)14-8-4-6-13-7-5-8/h1-3,8,13-14H,4-7H2.
What are the key properties of 2-fluoro-6-nitro-N-piperidin-4-ylbenzenesulfonamide?
2-fluoro-6-nitro-N-piperidin-4-ylbenzenesulfonamide has a molecular weight of 303.31 g/mol, XLogP of 0.76, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-nitro-N-piperidin-4-ylbenzenesulfonamide is sourced from PubChem (CID 119960637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).