N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]methanesulfonamide

C9H9F3N2O2S — CID 166437727

IUPACN-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]methanesulfonamide
SMILESCS(=O)(=O)N/N=C\c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C9H9F3N2O2S/c1-17(15,16)14-13-6-7-2-4-8(5-3-7)9(10,11)12/h2-6,14H,1H3/b13-6-
InChIKeyYPGFZDRMKDKCSC-MLPAPPSSSA-N
MW266.24 g/mol
LogP1.59
Rot. Bonds3

About N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]methanesulfonamide

N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]methanesulfonamide (PubChem CID 166437727) has the molecular formula C9H9F3N2O2S and a molecular weight of 266.24 g/mol. Its IUPAC name is N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]methanesulfonamide.

Molecular Properties

Compound NameN-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]methanesulfonamide
PubChem CID166437727
Molecular FormulaC9H9F3N2O2S
Molecular Weight266.24 g/mol
Exact Mass266.03
IUPAC NameN-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]methanesulfonamide
SMILESCS(=O)(=O)N/N=C\c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C9H9F3N2O2S/c1-17(15,16)14-13-6-7-2-4-8(5-3-7)9(10,11)12/h2-6,14H,1H3/b13-6-
InChIKeyYPGFZDRMKDKCSC-MLPAPPSSSA-N
XLogP1.59
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.24
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]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-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]methanesulfonamide?
The IUPAC name of N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]methanesulfonamide (CID 166437727) is N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]methanesulfonamide.
What is the SMILES notation for N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]methanesulfonamide?
The canonical SMILES for N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]methanesulfonamide is CS(=O)(=O)N/N=C\c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]methanesulfonamide?
The InChIKey is YPGFZDRMKDKCSC-MLPAPPSSSA-N. The full InChI is InChI=1S/C9H9F3N2O2S/c1-17(15,16)14-13-6-7-2-4-8(5-3-7)9(10,11)12/h2-6,14H,1H3/b13-6-.
What are the key properties of N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]methanesulfonamide?
N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]methanesulfonamide has a molecular weight of 266.24 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]methanesulfonamide is sourced from PubChem (CID 166437727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).