5-bromo-2-hydrazinyl-N-(2,2,3,3-tetrafluoropropyl)pyridine-3-sulfonamide

C8H9BrF4N4O2S — CID 106294324

IUPAC5-bromo-2-hydrazinyl-N-(2,2,3,3-tetrafluoropropyl)pyridine-3-sulfonamide
SMILESNNc1ncc(Br)cc1S(=O)(=O)NCC(F)(F)C(F)F
InChIInChI=1S/C8H9BrF4N4O2S/c9-4-1-5(6(17-14)15-2-4)20(18,19)16-3-8(12,13)7(10)11/h1-2,7,16H,3,14H2,(H,15,17)
InChIKeyAIRWNDXVTRNXKC-UHFFFAOYSA-N
MW381.15 g/mol
LogP1.31
Rot. Bonds6

About 5-bromo-2-hydrazinyl-N-(2,2,3,3-tetrafluoropropyl)pyridine-3-sulfonamide

5-bromo-2-hydrazinyl-N-(2,2,3,3-tetrafluoropropyl)pyridine-3-sulfonamide (PubChem CID 106294324) has the molecular formula C8H9BrF4N4O2S and a molecular weight of 381.15 g/mol. Its IUPAC name is 5-bromo-2-hydrazinyl-N-(2,2,3,3-tetrafluoropropyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-2-hydrazinyl-N-(2,2,3,3-tetrafluoropropyl)pyridine-3-sulfonamide
PubChem CID106294324
Molecular FormulaC8H9BrF4N4O2S
Molecular Weight381.15 g/mol
Exact Mass379.96
IUPAC Name5-bromo-2-hydrazinyl-N-(2,2,3,3-tetrafluoropropyl)pyridine-3-sulfonamide
SMILESNNc1ncc(Br)cc1S(=O)(=O)NCC(F)(F)C(F)F
InChIInChI=1S/C8H9BrF4N4O2S/c9-4-1-5(6(17-14)15-2-4)20(18,19)16-3-8(12,13)7(10)11/h1-2,7,16H,3,14H2,(H,15,17)
InChIKeyAIRWNDXVTRNXKC-UHFFFAOYSA-N
XLogP1.31
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.15
LogP ≤ 51.31
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'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

N,N-diethyl-6-hydrazinylpyridine-3-sulfonamide
CID 3863748
3-(Azepan-1-ylsulfonyl)-5-bromopyridin-2-amine
CID 22515856
6-Hydrazinylpyridine-3-sulfonamide
CID 12096590
5-Bromo-3-(4-methylpiperazin-1-ylsulfonyl)pyridin-2-amine
CID 22515880
2-amino-5-bromo-N-butyl-pyridine-3-sulfonamide
CID 22515931
2-amino-5-bromo-N-cyclohexylpyridine-3-sulfonamide
CID 22515840
6-hydrazinyl-N,N-dimethylpyridine-3-sulfonamide
CID 5267684
6-hydrazinyl-N-(propan-2-yl)pyridine-3-sulfonamide
CID 16777344
2-Amino-5-bromopyridine-3-sulfonyl chloride
CID 53302026
2-amino-5-bromo-N,N-diethylpyridine-3-sulfonamide
CID 6623864
2-Hydrazinylpyridine-3-sulfonamide
CID 12567026
2-amino-5-bromo-N-methylpyridine-3-sulfonamide
CID 52335154

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-hydrazinyl-N-(2,2,3,3-tetrafluoropropyl)pyridine-3-sulfonamide?
The IUPAC name of 5-bromo-2-hydrazinyl-N-(2,2,3,3-tetrafluoropropyl)pyridine-3-sulfonamide (CID 106294324) is 5-bromo-2-hydrazinyl-N-(2,2,3,3-tetrafluoropropyl)pyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-2-hydrazinyl-N-(2,2,3,3-tetrafluoropropyl)pyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-2-hydrazinyl-N-(2,2,3,3-tetrafluoropropyl)pyridine-3-sulfonamide is NNc1ncc(Br)cc1S(=O)(=O)NCC(F)(F)C(F)F.
What is the InChIKey of 5-bromo-2-hydrazinyl-N-(2,2,3,3-tetrafluoropropyl)pyridine-3-sulfonamide?
The InChIKey is AIRWNDXVTRNXKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrF4N4O2S/c9-4-1-5(6(17-14)15-2-4)20(18,19)16-3-8(12,13)7(10)11/h1-2,7,16H,3,14H2,(H,15,17).
What are the key properties of 5-bromo-2-hydrazinyl-N-(2,2,3,3-tetrafluoropropyl)pyridine-3-sulfonamide?
5-bromo-2-hydrazinyl-N-(2,2,3,3-tetrafluoropropyl)pyridine-3-sulfonamide has a molecular weight of 381.15 g/mol, XLogP of 1.31, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-hydrazinyl-N-(2,2,3,3-tetrafluoropropyl)pyridine-3-sulfonamide is sourced from PubChem (CID 106294324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).