5-chloro-6-hydrazinyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-sulfonamide

C8H10ClF3N4O2S2 — CID 106429802

IUPAC5-chloro-6-hydrazinyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-sulfonamide
SMILESNNc1ncc(S(=O)(=O)NCCSC(F)(F)F)cc1Cl
InChIInChI=1S/C8H10ClF3N4O2S2/c9-6-3-5(4-14-7(6)16-13)20(17,18)15-1-2-19-8(10,11)12/h3-4,15H,1-2,13H2,(H,14,16)
InChIKeyLPKIJKRTCYWYED-UHFFFAOYSA-N
MW350.78 g/mol
LogP1.55
Rot. Bonds6

About 5-chloro-6-hydrazinyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-sulfonamide

5-chloro-6-hydrazinyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-sulfonamide (PubChem CID 106429802) has the molecular formula C8H10ClF3N4O2S2 and a molecular weight of 350.78 g/mol. Its IUPAC name is 5-chloro-6-hydrazinyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-chloro-6-hydrazinyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-sulfonamide
PubChem CID106429802
Molecular FormulaC8H10ClF3N4O2S2
Molecular Weight350.78 g/mol
Exact Mass349.99
IUPAC Name5-chloro-6-hydrazinyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-sulfonamide
SMILESNNc1ncc(S(=O)(=O)NCCSC(F)(F)F)cc1Cl
InChIInChI=1S/C8H10ClF3N4O2S2/c9-6-3-5(4-14-7(6)16-13)20(17,18)15-1-2-19-8(10,11)12/h3-4,15H,1-2,13H2,(H,14,16)
InChIKeyLPKIJKRTCYWYED-UHFFFAOYSA-N
XLogP1.55
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.78
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5,6-dichloro-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-sulfonamide
CID 113239619
5-chloro-6-hydrazinyl-N-propylpyridine-3-sulfonamide
CID 64607208
5-chloro-N-(2-cyclobutylethyl)-6-hydrazinylpyridine-3-sulfonamide
CID 113479037
5-chloro-N-(2-ethoxyethyl)-6-hydrazinylpyridine-3-sulfonamide
CID 64608939
6-amino-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-sulfonamide
CID 114187255
5-chloro-6-(methylamino)-N-(3,3,3-trifluoropropyl)pyridine-3-sulfonamide
CID 64602290
3-bromo-4-chloro-N-[2-(trifluoromethylsulfanyl)ethyl]benzenesulfonamide
CID 106432524
5-chloro-6-hydrazinyl-N-pyrimidin-2-ylpyridine-3-sulfonamide
CID 64608544
5-chloro-6-hydrazinyl-N-(3-methoxy-2-methylpropyl)pyridine-3-sulfonamide
CID 64608765
5-chloro-6-hydrazinyl-N-(1H-pyrazol-4-ylmethyl)pyridine-3-sulfonamide
CID 64607994
3,5-dichloro-6-hydrazinyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyridin-2-amine
CID 106434145
5-chloro-6-hydrazinyl-N-(pyrimidin-4-ylmethyl)pyridine-3-sulfonamide
CID 114111350

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-hydrazinyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-sulfonamide?
The IUPAC name of 5-chloro-6-hydrazinyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-sulfonamide (CID 106429802) is 5-chloro-6-hydrazinyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-sulfonamide.
What is the SMILES notation for 5-chloro-6-hydrazinyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-sulfonamide?
The canonical SMILES for 5-chloro-6-hydrazinyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-sulfonamide is NNc1ncc(S(=O)(=O)NCCSC(F)(F)F)cc1Cl.
What is the InChIKey of 5-chloro-6-hydrazinyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-sulfonamide?
The InChIKey is LPKIJKRTCYWYED-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClF3N4O2S2/c9-6-3-5(4-14-7(6)16-13)20(17,18)15-1-2-19-8(10,11)12/h3-4,15H,1-2,13H2,(H,14,16).
What are the key properties of 5-chloro-6-hydrazinyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-sulfonamide?
5-chloro-6-hydrazinyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-sulfonamide has a molecular weight of 350.78 g/mol, XLogP of 1.55, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-hydrazinyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-sulfonamide is sourced from PubChem (CID 106429802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).