6-cyano-2-(trifluoromethoxy)pyridine-3-sulfonamide

C7H4F3N3O3S — CID 133096320

IUPAC6-cyano-2-(trifluoromethoxy)pyridine-3-sulfonamide
SMILESN#Cc1ccc(S(N)(=O)=O)c(OC(F)(F)F)n1
InChIInChI=1S/C7H4F3N3O3S/c8-7(9,10)16-6-5(17(12,14)15)2-1-4(3-11)13-6/h1-2H,(H2,12,14,15)
InChIKeyLMULLEOGKSJWEK-UHFFFAOYSA-N
MW267.19 g/mol
LogP0.50
Rot. Bonds2

About 6-cyano-2-(trifluoromethoxy)pyridine-3-sulfonamide

6-cyano-2-(trifluoromethoxy)pyridine-3-sulfonamide (PubChem CID 133096320) has the molecular formula C7H4F3N3O3S and a molecular weight of 267.19 g/mol. Its IUPAC name is 6-cyano-2-(trifluoromethoxy)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-cyano-2-(trifluoromethoxy)pyridine-3-sulfonamide
PubChem CID133096320
Molecular FormulaC7H4F3N3O3S
Molecular Weight267.19 g/mol
Exact Mass266.99
IUPAC Name6-cyano-2-(trifluoromethoxy)pyridine-3-sulfonamide
SMILESN#Cc1ccc(S(N)(=O)=O)c(OC(F)(F)F)n1
InChIInChI=1S/C7H4F3N3O3S/c8-7(9,10)16-6-5(17(12,14)15)2-1-4(3-11)13-6/h1-2H,(H2,12,14,15)
InChIKeyLMULLEOGKSJWEK-UHFFFAOYSA-N
XLogP0.50
TPSA106.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.19
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-cyano-2-(trifluoromethoxy)pyridine-3-sulfonamide?
The IUPAC name of 6-cyano-2-(trifluoromethoxy)pyridine-3-sulfonamide (CID 133096320) is 6-cyano-2-(trifluoromethoxy)pyridine-3-sulfonamide.
What is the SMILES notation for 6-cyano-2-(trifluoromethoxy)pyridine-3-sulfonamide?
The canonical SMILES for 6-cyano-2-(trifluoromethoxy)pyridine-3-sulfonamide is N#Cc1ccc(S(N)(=O)=O)c(OC(F)(F)F)n1.
What is the InChIKey of 6-cyano-2-(trifluoromethoxy)pyridine-3-sulfonamide?
The InChIKey is LMULLEOGKSJWEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F3N3O3S/c8-7(9,10)16-6-5(17(12,14)15)2-1-4(3-11)13-6/h1-2H,(H2,12,14,15).
What are the key properties of 6-cyano-2-(trifluoromethoxy)pyridine-3-sulfonamide?
6-cyano-2-(trifluoromethoxy)pyridine-3-sulfonamide has a molecular weight of 267.19 g/mol, XLogP of 0.50, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyano-2-(trifluoromethoxy)pyridine-3-sulfonamide is sourced from PubChem (CID 133096320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).