N-[1-[6-(trifluoromethyl)-3-pyridinyl]ethylidene]methanesulfonamide

C9H9F3N2O2S — CID 141181632

IUPACN-[1-[6-(trifluoromethyl)-3-pyridinyl]ethylidene]methanesulfonamide
SMILESCC(=NS(C)(=O)=O)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C9H9F3N2O2S/c1-6(14-17(2,15)16)7-3-4-8(13-5-7)9(10,11)12/h3-5H,1-2H3
InChIKeyQLYBFCUOJQSEAU-UHFFFAOYSA-N
MW266.24 g/mol
LogP1.87
Rot. Bonds2

About N-[1-[6-(trifluoromethyl)-3-pyridinyl]ethylidene]methanesulfonamide

N-[1-[6-(trifluoromethyl)-3-pyridinyl]ethylidene]methanesulfonamide (PubChem CID 141181632) has the molecular formula C9H9F3N2O2S and a molecular weight of 266.24 g/mol. Its IUPAC name is N-[1-[6-(trifluoromethyl)-3-pyridinyl]ethylidene]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[6-(trifluoromethyl)-3-pyridinyl]ethylidene]methanesulfonamide
PubChem CID141181632
Molecular FormulaC9H9F3N2O2S
Molecular Weight266.24 g/mol
Exact Mass266.03
IUPAC NameN-[1-[6-(trifluoromethyl)-3-pyridinyl]ethylidene]methanesulfonamide
SMILESCC(=NS(C)(=O)=O)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C9H9F3N2O2S/c1-6(14-17(2,15)16)7-3-4-8(13-5-7)9(10,11)12/h3-5H,1-2H3
InChIKeyQLYBFCUOJQSEAU-UHFFFAOYSA-N
XLogP1.87
TPSA59.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.24
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-[1-[6-(trifluoromethyl)-3-pyridinyl]ethylidene]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-[6-(trifluoromethyl)-3-pyridinyl]ethylidene]methanesulfonamide?
The IUPAC name of N-[1-[6-(trifluoromethyl)-3-pyridinyl]ethylidene]methanesulfonamide (CID 141181632) is N-[1-[6-(trifluoromethyl)-3-pyridinyl]ethylidene]methanesulfonamide.
What is the SMILES notation for N-[1-[6-(trifluoromethyl)-3-pyridinyl]ethylidene]methanesulfonamide?
The canonical SMILES for N-[1-[6-(trifluoromethyl)-3-pyridinyl]ethylidene]methanesulfonamide is CC(=NS(C)(=O)=O)c1ccc(C(F)(F)F)nc1.
What is the InChIKey of N-[1-[6-(trifluoromethyl)-3-pyridinyl]ethylidene]methanesulfonamide?
The InChIKey is QLYBFCUOJQSEAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O2S/c1-6(14-17(2,15)16)7-3-4-8(13-5-7)9(10,11)12/h3-5H,1-2H3.
What are the key properties of N-[1-[6-(trifluoromethyl)-3-pyridinyl]ethylidene]methanesulfonamide?
N-[1-[6-(trifluoromethyl)-3-pyridinyl]ethylidene]methanesulfonamide has a molecular weight of 266.24 g/mol, XLogP of 1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[6-(trifluoromethyl)-3-pyridinyl]ethylidene]methanesulfonamide is sourced from PubChem (CID 141181632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).