N-(2-chloro-4-fluorophenyl)-N-[2-(trifluoromethoxy)phenyl]sulfonylprop-2-enamide

C16H10ClF4NO4S — CID 142416506

IUPACN-(2-chloro-4-fluorophenyl)-N-[2-(trifluoromethoxy)phenyl]sulfonylprop-2-enamide
SMILESC=CC(=O)N(c1ccc(F)cc1Cl)S(=O)(=O)c1ccccc1OC(F)(F)F
InChIInChI=1S/C16H10ClF4NO4S/c1-2-15(23)22(12-8-7-10(18)9-11(12)17)27(24,25)14-6-4-3-5-13(14)26-16(19,20)21/h2-9H,1H2
InChIKeyRTIIYCHFDGLSDR-UHFFFAOYSA-N
MW423.77 g/mol
LogP4.29
Rot. Bonds5

About N-(2-chloro-4-fluorophenyl)-N-[2-(trifluoromethoxy)phenyl]sulfonylprop-2-enamide

N-(2-chloro-4-fluorophenyl)-N-[2-(trifluoromethoxy)phenyl]sulfonylprop-2-enamide (PubChem CID 142416506) has the molecular formula C16H10ClF4NO4S and a molecular weight of 423.77 g/mol. Its IUPAC name is N-(2-chloro-4-fluorophenyl)-N-[2-(trifluoromethoxy)phenyl]sulfonylprop-2-enamide.

Molecular Properties

Compound NameN-(2-chloro-4-fluorophenyl)-N-[2-(trifluoromethoxy)phenyl]sulfonylprop-2-enamide
PubChem CID142416506
Molecular FormulaC16H10ClF4NO4S
Molecular Weight423.77 g/mol
Exact Mass423.00
IUPAC NameN-(2-chloro-4-fluorophenyl)-N-[2-(trifluoromethoxy)phenyl]sulfonylprop-2-enamide
SMILESC=CC(=O)N(c1ccc(F)cc1Cl)S(=O)(=O)c1ccccc1OC(F)(F)F
InChIInChI=1S/C16H10ClF4NO4S/c1-2-15(23)22(12-8-7-10(18)9-11(12)17)27(24,25)14-6-4-3-5-13(14)26-16(19,20)21/h2-9H,1H2
InChIKeyRTIIYCHFDGLSDR-UHFFFAOYSA-N
XLogP4.29
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.77
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-(2-chloro-4-fluorophenyl)-N-[2-(trifluoromethoxy)phenyl]sulfonylprop-2-enamide 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-(2-chloro-4-fluorophenyl)-N-[2-(trifluoromethoxy)phenyl]sulfonylprop-2-enamide?
The IUPAC name of N-(2-chloro-4-fluorophenyl)-N-[2-(trifluoromethoxy)phenyl]sulfonylprop-2-enamide (CID 142416506) is N-(2-chloro-4-fluorophenyl)-N-[2-(trifluoromethoxy)phenyl]sulfonylprop-2-enamide.
What is the SMILES notation for N-(2-chloro-4-fluorophenyl)-N-[2-(trifluoromethoxy)phenyl]sulfonylprop-2-enamide?
The canonical SMILES for N-(2-chloro-4-fluorophenyl)-N-[2-(trifluoromethoxy)phenyl]sulfonylprop-2-enamide is C=CC(=O)N(c1ccc(F)cc1Cl)S(=O)(=O)c1ccccc1OC(F)(F)F.
What is the InChIKey of N-(2-chloro-4-fluorophenyl)-N-[2-(trifluoromethoxy)phenyl]sulfonylprop-2-enamide?
The InChIKey is RTIIYCHFDGLSDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClF4NO4S/c1-2-15(23)22(12-8-7-10(18)9-11(12)17)27(24,25)14-6-4-3-5-13(14)26-16(19,20)21/h2-9H,1H2.
What are the key properties of N-(2-chloro-4-fluorophenyl)-N-[2-(trifluoromethoxy)phenyl]sulfonylprop-2-enamide?
N-(2-chloro-4-fluorophenyl)-N-[2-(trifluoromethoxy)phenyl]sulfonylprop-2-enamide has a molecular weight of 423.77 g/mol, XLogP of 4.29, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-fluorophenyl)-N-[2-(trifluoromethoxy)phenyl]sulfonylprop-2-enamide is sourced from PubChem (CID 142416506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).