(1E)-1-pyridin-2-ylsulfonyl-N-[4-(trifluoromethoxy)anilino]methanimidoyl cyanide

C14H9F3N4O3S — CID 155553949

IUPAC(1E)-1-pyridin-2-ylsulfonyl-N-[4-(trifluoromethoxy)anilino]methanimidoyl cyanide
SMILESN#C/C(=N\Nc1ccc(OC(F)(F)F)cc1)S(=O)(=O)c1ccccn1
InChIInChI=1S/C14H9F3N4O3S/c15-14(16,17)24-11-6-4-10(5-7-11)20-21-13(9-18)25(22,23)12-3-1-2-8-19-12/h1-8,20H/b21-13+
InChIKeyMCQLFCTZCAPYRG-FYJGNVAPSA-N
MW370.31 g/mol
LogP2.70
Rot. Bonds4

About (1E)-1-pyridin-2-ylsulfonyl-N-[4-(trifluoromethoxy)anilino]methanimidoyl cyanide

(1E)-1-pyridin-2-ylsulfonyl-N-[4-(trifluoromethoxy)anilino]methanimidoyl cyanide (PubChem CID 155553949) has the molecular formula C14H9F3N4O3S and a molecular weight of 370.31 g/mol. Its IUPAC name is (1E)-1-pyridin-2-ylsulfonyl-N-[4-(trifluoromethoxy)anilino]methanimidoyl cyanide.

Molecular Properties

Compound Name(1E)-1-pyridin-2-ylsulfonyl-N-[4-(trifluoromethoxy)anilino]methanimidoyl cyanide
PubChem CID155553949
Molecular FormulaC14H9F3N4O3S
Molecular Weight370.31 g/mol
Exact Mass370.03
IUPAC Name(1E)-1-pyridin-2-ylsulfonyl-N-[4-(trifluoromethoxy)anilino]methanimidoyl cyanide
SMILESN#C/C(=N\Nc1ccc(OC(F)(F)F)cc1)S(=O)(=O)c1ccccn1
InChIInChI=1S/C14H9F3N4O3S/c15-14(16,17)24-11-6-4-10(5-7-11)20-21-13(9-18)25(22,23)12-3-1-2-8-19-12/h1-8,20H/b21-13+
InChIKeyMCQLFCTZCAPYRG-FYJGNVAPSA-N
XLogP2.70
TPSA104.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.31
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_imine_C(12)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (1E)-1-pyridin-2-ylsulfonyl-N-[4-(trifluoromethoxy)anilino]methanimidoyl cyanide 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 (1E)-1-pyridin-2-ylsulfonyl-N-[4-(trifluoromethoxy)anilino]methanimidoyl cyanide?
The IUPAC name of (1E)-1-pyridin-2-ylsulfonyl-N-[4-(trifluoromethoxy)anilino]methanimidoyl cyanide (CID 155553949) is (1E)-1-pyridin-2-ylsulfonyl-N-[4-(trifluoromethoxy)anilino]methanimidoyl cyanide.
What is the SMILES notation for (1E)-1-pyridin-2-ylsulfonyl-N-[4-(trifluoromethoxy)anilino]methanimidoyl cyanide?
The canonical SMILES for (1E)-1-pyridin-2-ylsulfonyl-N-[4-(trifluoromethoxy)anilino]methanimidoyl cyanide is N#C/C(=N\Nc1ccc(OC(F)(F)F)cc1)S(=O)(=O)c1ccccn1.
What is the InChIKey of (1E)-1-pyridin-2-ylsulfonyl-N-[4-(trifluoromethoxy)anilino]methanimidoyl cyanide?
The InChIKey is MCQLFCTZCAPYRG-FYJGNVAPSA-N. The full InChI is InChI=1S/C14H9F3N4O3S/c15-14(16,17)24-11-6-4-10(5-7-11)20-21-13(9-18)25(22,23)12-3-1-2-8-19-12/h1-8,20H/b21-13+.
What are the key properties of (1E)-1-pyridin-2-ylsulfonyl-N-[4-(trifluoromethoxy)anilino]methanimidoyl cyanide?
(1E)-1-pyridin-2-ylsulfonyl-N-[4-(trifluoromethoxy)anilino]methanimidoyl cyanide has a molecular weight of 370.31 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-pyridin-2-ylsulfonyl-N-[4-(trifluoromethoxy)anilino]methanimidoyl cyanide is sourced from PubChem (CID 155553949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).