N-[(2-fluorophenyl)methyl]-2-hydrazinylpyridine-4-sulfonamide

C12H13FN4O2S — CID 61003915

IUPACN-[(2-fluorophenyl)methyl]-2-hydrazinylpyridine-4-sulfonamide
SMILESNNc1cc(S(=O)(=O)NCc2ccccc2F)ccn1
InChIInChI=1S/C12H13FN4O2S/c13-11-4-2-1-3-9(11)8-16-20(18,19)10-5-6-15-12(7-10)17-14/h1-7,16H,8,14H2,(H,15,17)
InChIKeyALSZRFYZEWNUPZ-UHFFFAOYSA-N
MW296.33 g/mol
LogP0.98
Rot. Bonds5

About N-[(2-fluorophenyl)methyl]-2-hydrazinylpyridine-4-sulfonamide

N-[(2-fluorophenyl)methyl]-2-hydrazinylpyridine-4-sulfonamide (PubChem CID 61003915) has the molecular formula C12H13FN4O2S and a molecular weight of 296.33 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-2-hydrazinylpyridine-4-sulfonamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-2-hydrazinylpyridine-4-sulfonamide
PubChem CID61003915
Molecular FormulaC12H13FN4O2S
Molecular Weight296.33 g/mol
Exact Mass296.07
IUPAC NameN-[(2-fluorophenyl)methyl]-2-hydrazinylpyridine-4-sulfonamide
SMILESNNc1cc(S(=O)(=O)NCc2ccccc2F)ccn1
InChIInChI=1S/C12H13FN4O2S/c13-11-4-2-1-3-9(11)8-16-20(18,19)10-5-6-15-12(7-10)17-14/h1-7,16H,8,14H2,(H,15,17)
InChIKeyALSZRFYZEWNUPZ-UHFFFAOYSA-N
XLogP0.98
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-hydrazinyl-N-(2,2,2-trifluoroethyl)pyridine-4-sulfonamide
CID 61004239
N-[(4-ethylphenyl)methyl]-2-hydrazinylpyridine-4-sulfonamide
CID 106900184
N-[(2-fluorophenyl)methyl]-2-hydrazinylpyridine-4-carboxamide
CID 62248324
3-fluoro-N-[(2-fluorophenyl)methyl]-4-methylbenzenesulfonamide
CID 39620815
N-[(2-fluorophenyl)methyl]-1,3-benzoxazole-6-sulfonamide
CID 110759634
N-[(2-methoxyphenyl)methyl]-2-(methylamino)pyridine-4-sulfonamide
CID 62164415
N-(3,4-difluorophenyl)-2-hydrazinylpyridine-4-sulfonamide
CID 61004703
N-(4-fluoro-3-methylphenyl)-2-hydrazinylpyridine-4-sulfonamide
CID 62812201
2-hydrazinyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-4-sulfonamide
CID 55037929
2-hydrazinyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridine-4-sulfonamide
CID 114184093
5-[(2-fluorophenyl)methylsulfamoyl]-2-methylbenzamide
CID 34033824
2-hydrazinyl-N-(2-iodophenyl)pyridine-4-sulfonamide
CID 54895973

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-2-hydrazinylpyridine-4-sulfonamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-2-hydrazinylpyridine-4-sulfonamide (CID 61003915) is N-[(2-fluorophenyl)methyl]-2-hydrazinylpyridine-4-sulfonamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-2-hydrazinylpyridine-4-sulfonamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-2-hydrazinylpyridine-4-sulfonamide is NNc1cc(S(=O)(=O)NCc2ccccc2F)ccn1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-2-hydrazinylpyridine-4-sulfonamide?
The InChIKey is ALSZRFYZEWNUPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4O2S/c13-11-4-2-1-3-9(11)8-16-20(18,19)10-5-6-15-12(7-10)17-14/h1-7,16H,8,14H2,(H,15,17).
What are the key properties of N-[(2-fluorophenyl)methyl]-2-hydrazinylpyridine-4-sulfonamide?
N-[(2-fluorophenyl)methyl]-2-hydrazinylpyridine-4-sulfonamide has a molecular weight of 296.33 g/mol, XLogP of 0.98, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-2-hydrazinylpyridine-4-sulfonamide is sourced from PubChem (CID 61003915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).