N-(1-cyanocyclopropyl)-6-(trifluoromethyl)pyridine-3-sulfonamide

C10H8F3N3O2S — CID 84599411

IUPACN-(1-cyanocyclopropyl)-6-(trifluoromethyl)pyridine-3-sulfonamide
SMILESN#CC1(NS(=O)(=O)c2ccc(C(F)(F)F)nc2)CC1
InChIInChI=1S/C10H8F3N3O2S/c11-10(12,13)8-2-1-7(5-15-8)19(17,18)16-9(6-14)3-4-9/h1-2,5,16H,3-4H2
InChIKeyVHLYMIKIHWFLBQ-UHFFFAOYSA-N
MW291.25 g/mol
LogP1.43
Rot. Bonds3

About N-(1-cyanocyclopropyl)-6-(trifluoromethyl)pyridine-3-sulfonamide

N-(1-cyanocyclopropyl)-6-(trifluoromethyl)pyridine-3-sulfonamide (PubChem CID 84599411) has the molecular formula C10H8F3N3O2S and a molecular weight of 291.25 g/mol. Its IUPAC name is N-(1-cyanocyclopropyl)-6-(trifluoromethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(1-cyanocyclopropyl)-6-(trifluoromethyl)pyridine-3-sulfonamide
PubChem CID84599411
Molecular FormulaC10H8F3N3O2S
Molecular Weight291.25 g/mol
Exact Mass291.03
IUPAC NameN-(1-cyanocyclopropyl)-6-(trifluoromethyl)pyridine-3-sulfonamide
SMILESN#CC1(NS(=O)(=O)c2ccc(C(F)(F)F)nc2)CC1
InChIInChI=1S/C10H8F3N3O2S/c11-10(12,13)8-2-1-7(5-15-8)19(17,18)16-9(6-14)3-4-9/h1-2,5,16H,3-4H2
InChIKeyVHLYMIKIHWFLBQ-UHFFFAOYSA-N
XLogP1.43
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.25
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclopropyl)-6-(trifluoromethyl)pyridine-3-sulfonamide?
The IUPAC name of N-(1-cyanocyclopropyl)-6-(trifluoromethyl)pyridine-3-sulfonamide (CID 84599411) is N-(1-cyanocyclopropyl)-6-(trifluoromethyl)pyridine-3-sulfonamide.
What is the SMILES notation for N-(1-cyanocyclopropyl)-6-(trifluoromethyl)pyridine-3-sulfonamide?
The canonical SMILES for N-(1-cyanocyclopropyl)-6-(trifluoromethyl)pyridine-3-sulfonamide is N#CC1(NS(=O)(=O)c2ccc(C(F)(F)F)nc2)CC1.
What is the InChIKey of N-(1-cyanocyclopropyl)-6-(trifluoromethyl)pyridine-3-sulfonamide?
The InChIKey is VHLYMIKIHWFLBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3O2S/c11-10(12,13)8-2-1-7(5-15-8)19(17,18)16-9(6-14)3-4-9/h1-2,5,16H,3-4H2.
What are the key properties of N-(1-cyanocyclopropyl)-6-(trifluoromethyl)pyridine-3-sulfonamide?
N-(1-cyanocyclopropyl)-6-(trifluoromethyl)pyridine-3-sulfonamide has a molecular weight of 291.25 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclopropyl)-6-(trifluoromethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 84599411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).