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

C9H12BrF3N4O3S — CID 107480758

IUPAC5-bromo-2-hydrazinyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide
SMILESNNc1ncc(Br)cc1S(=O)(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C9H12BrF3N4O3S/c10-6-3-7(8(16-14)15-4-6)21(19,20)17(1-2-18)5-9(11,12)13/h3-4,18H,1-2,5,14H2,(H,15,16)
InChIKeyBGAZJLGREJZYJY-UHFFFAOYSA-N
MW393.19 g/mol
LogP0.68
Rot. Bonds6

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

5-bromo-2-hydrazinyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide (PubChem CID 107480758) has the molecular formula C9H12BrF3N4O3S and a molecular weight of 393.19 g/mol. Its IUPAC name is 5-bromo-2-hydrazinyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-2-hydrazinyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide
PubChem CID107480758
Molecular FormulaC9H12BrF3N4O3S
Molecular Weight393.19 g/mol
Exact Mass391.98
IUPAC Name5-bromo-2-hydrazinyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide
SMILESNNc1ncc(Br)cc1S(=O)(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C9H12BrF3N4O3S/c10-6-3-7(8(16-14)15-4-6)21(19,20)17(1-2-18)5-9(11,12)13/h3-4,18H,1-2,5,14H2,(H,15,16)
InChIKeyBGAZJLGREJZYJY-UHFFFAOYSA-N
XLogP0.68
TPSA108.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.19
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-hydrazinyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide?
The IUPAC name of 5-bromo-2-hydrazinyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide (CID 107480758) is 5-bromo-2-hydrazinyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-2-hydrazinyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-2-hydrazinyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide is NNc1ncc(Br)cc1S(=O)(=O)N(CCO)CC(F)(F)F.
What is the InChIKey of 5-bromo-2-hydrazinyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide?
The InChIKey is BGAZJLGREJZYJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrF3N4O3S/c10-6-3-7(8(16-14)15-4-6)21(19,20)17(1-2-18)5-9(11,12)13/h3-4,18H,1-2,5,14H2,(H,15,16).
What are the key properties of 5-bromo-2-hydrazinyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide?
5-bromo-2-hydrazinyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide has a molecular weight of 393.19 g/mol, XLogP of 0.68, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-hydrazinyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 107480758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).