2-cyano-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-sulfonamide

C9H8F3N3O2S2 — CID 106545557

IUPAC2-cyano-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-sulfonamide
SMILESN#Cc1ncccc1S(=O)(=O)NCCSC(F)(F)F
InChIInChI=1S/C9H8F3N3O2S2/c10-9(11,12)18-5-4-15-19(16,17)8-2-1-3-14-7(8)6-13/h1-3,15H,4-5H2
InChIKeyOQNCBHDIMRISEY-UHFFFAOYSA-N
MW311.31 g/mol
LogP1.48
Rot. Bonds5

About 2-cyano-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-sulfonamide

2-cyano-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-sulfonamide (PubChem CID 106545557) has the molecular formula C9H8F3N3O2S2 and a molecular weight of 311.31 g/mol. Its IUPAC name is 2-cyano-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-cyano-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-sulfonamide
PubChem CID106545557
Molecular FormulaC9H8F3N3O2S2
Molecular Weight311.31 g/mol
Exact Mass311.00
IUPAC Name2-cyano-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-sulfonamide
SMILESN#Cc1ncccc1S(=O)(=O)NCCSC(F)(F)F
InChIInChI=1S/C9H8F3N3O2S2/c10-9(11,12)18-5-4-15-19(16,17)8-2-1-3-14-7(8)6-13/h1-3,15H,4-5H2
InChIKeyOQNCBHDIMRISEY-UHFFFAOYSA-N
XLogP1.48
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.31
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-cyano-N-(3-ethylsulfanylpropyl)pyridine-3-sulfonamide
CID 114248056
N-(3-amino-2,2-difluoropropyl)-2-cyanopyridine-3-sulfonamide
CID 106598697
2-cyano-N-pent-4-ynylpyridine-3-sulfonamide
CID 106546358
2-cyano-N-(2,2,3-trimethylbutyl)pyridine-3-sulfonamide
CID 106546835
N-[2-(4-aminophenyl)ethyl]-2-cyanopyridine-3-sulfonamide
CID 106593181
2-cyano-N-(2-ethylsulfinylethyl)pyridine-3-sulfonamide
CID 106546033
3-[(2-cyano-3-pyridinyl)sulfonylamino]-2,2-dimethylpropanoic acid
CID 106593434
3-[(2-cyano-3-pyridinyl)sulfonylamino]-N-ethylpropanamide
CID 106596234
2-cyano-N-[(2S)-2-hydroxypropyl]pyridine-3-sulfonamide
CID 106546656
2-cyano-N-(2-methyl-3-methylsulfanylpropyl)pyridine-3-sulfonamide
CID 106546061
N-(2-but-3-enoxyethyl)-2-cyanopyridine-3-sulfonamide
CID 106546607
methyl 6-[(2-cyano-3-pyridinyl)sulfonylamino]hexanoate
CID 106545225

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-sulfonamide?
The IUPAC name of 2-cyano-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-sulfonamide (CID 106545557) is 2-cyano-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-sulfonamide.
What is the SMILES notation for 2-cyano-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-sulfonamide?
The canonical SMILES for 2-cyano-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-sulfonamide is N#Cc1ncccc1S(=O)(=O)NCCSC(F)(F)F.
What is the InChIKey of 2-cyano-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-sulfonamide?
The InChIKey is OQNCBHDIMRISEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3N3O2S2/c10-9(11,12)18-5-4-15-19(16,17)8-2-1-3-14-7(8)6-13/h1-3,15H,4-5H2.
What are the key properties of 2-cyano-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-sulfonamide?
2-cyano-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-sulfonamide has a molecular weight of 311.31 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-sulfonamide is sourced from PubChem (CID 106545557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).