5-bromo-N-[(4-fluorophenyl)methyl]-2-hydrazinylpyridine-3-sulfonamide

C12H12BrFN4O2S — CID 61298529

IUPAC5-bromo-N-[(4-fluorophenyl)methyl]-2-hydrazinylpyridine-3-sulfonamide
SMILESNNc1ncc(Br)cc1S(=O)(=O)NCc1ccc(F)cc1
InChIInChI=1S/C12H12BrFN4O2S/c13-9-5-11(12(18-15)16-7-9)21(19,20)17-6-8-1-3-10(14)4-2-8/h1-5,7,17H,6,15H2,(H,16,18)
InChIKeyGMLROWGYSSMBRF-UHFFFAOYSA-N
MW375.22 g/mol
LogP1.75
Rot. Bonds5

About 5-bromo-N-[(4-fluorophenyl)methyl]-2-hydrazinylpyridine-3-sulfonamide

5-bromo-N-[(4-fluorophenyl)methyl]-2-hydrazinylpyridine-3-sulfonamide (PubChem CID 61298529) has the molecular formula C12H12BrFN4O2S and a molecular weight of 375.22 g/mol. Its IUPAC name is 5-bromo-N-[(4-fluorophenyl)methyl]-2-hydrazinylpyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-[(4-fluorophenyl)methyl]-2-hydrazinylpyridine-3-sulfonamide
PubChem CID61298529
Molecular FormulaC12H12BrFN4O2S
Molecular Weight375.22 g/mol
Exact Mass373.98
IUPAC Name5-bromo-N-[(4-fluorophenyl)methyl]-2-hydrazinylpyridine-3-sulfonamide
SMILESNNc1ncc(Br)cc1S(=O)(=O)NCc1ccc(F)cc1
InChIInChI=1S/C12H12BrFN4O2S/c13-9-5-11(12(18-15)16-7-9)21(19,20)17-6-8-1-3-10(14)4-2-8/h1-5,7,17H,6,15H2,(H,16,18)
InChIKeyGMLROWGYSSMBRF-UHFFFAOYSA-N
XLogP1.75
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.22
LogP ≤ 51.75
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

5-bromo-2-hydrazinyl-N-[(6-methyl-3-pyridinyl)methyl]pyridine-3-sulfonamide
CID 63009803
5-bromo-N-(2,2-dimethylpropyl)-2-hydrazinylpyridine-3-sulfonamide
CID 61298746
5-bromo-N-[2-(dimethylamino)ethyl]-2-hydrazinylpyridine-3-sulfonamide
CID 61299692
5-bromo-2-hydrazinyl-N-(2,2,3,3-tetrafluoropropyl)pyridine-3-sulfonamide
CID 106294324
5-bromo-N-[(3,4-difluorophenyl)methyl]-2-fluoropyridine-3-sulfonamide
CID 67086102
5-bromo-2-hydrazinyl-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-sulfonamide
CID 102906621
5-bromo-2-hydrazinyl-N-octylpyridine-3-sulfonamide
CID 115569034
5-bromo-N-(4-bromo-3-fluorophenyl)-2-hydrazinylpyridine-3-sulfonamide
CID 65436185
5-bromo-2-hydrazinyl-N',N'-dimethylpyridine-3-sulfonohydrazide
CID 83025691
3-amino-2-bromo-5-chloro-N-[(4-fluorophenyl)methyl]benzenesulfonamide
CID 62955823
5-bromo-N-[(1,1-dioxothiolan-3-yl)methyl]-2-hydrazinylpyridine-3-sulfonamide
CID 62133630
2,5-difluoro-N-[(4-fluorophenyl)methyl]benzenesulfonamide
CID 19680619

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(4-fluorophenyl)methyl]-2-hydrazinylpyridine-3-sulfonamide?
The IUPAC name of 5-bromo-N-[(4-fluorophenyl)methyl]-2-hydrazinylpyridine-3-sulfonamide (CID 61298529) is 5-bromo-N-[(4-fluorophenyl)methyl]-2-hydrazinylpyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-N-[(4-fluorophenyl)methyl]-2-hydrazinylpyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-N-[(4-fluorophenyl)methyl]-2-hydrazinylpyridine-3-sulfonamide is NNc1ncc(Br)cc1S(=O)(=O)NCc1ccc(F)cc1.
What is the InChIKey of 5-bromo-N-[(4-fluorophenyl)methyl]-2-hydrazinylpyridine-3-sulfonamide?
The InChIKey is GMLROWGYSSMBRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrFN4O2S/c13-9-5-11(12(18-15)16-7-9)21(19,20)17-6-8-1-3-10(14)4-2-8/h1-5,7,17H,6,15H2,(H,16,18).
What are the key properties of 5-bromo-N-[(4-fluorophenyl)methyl]-2-hydrazinylpyridine-3-sulfonamide?
5-bromo-N-[(4-fluorophenyl)methyl]-2-hydrazinylpyridine-3-sulfonamide has a molecular weight of 375.22 g/mol, XLogP of 1.75, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(4-fluorophenyl)methyl]-2-hydrazinylpyridine-3-sulfonamide is sourced from PubChem (CID 61298529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).