N-(2,5-difluoro-4-methylphenyl)sulfonyl-3-pyridin-2-ylprop-2-enamide

C15H12F2N2O3S — CID 91943550

IUPACN-(2,5-difluoro-4-methylphenyl)sulfonyl-3-pyridin-2-ylprop-2-enamide
SMILESCc1cc(F)c(S(=O)(=O)NC(=O)C=Cc2ccccn2)cc1F
InChIInChI=1S/C15H12F2N2O3S/c1-10-8-13(17)14(9-12(10)16)23(21,22)19-15(20)6-5-11-4-2-3-7-18-11/h2-9H,1H3,(H,19,20)
InChIKeyRNTMMVCNYFFYGL-UHFFFAOYSA-N
MW338.34 g/mol
LogP2.19
Rot. Bonds4

About N-(2,5-difluoro-4-methylphenyl)sulfonyl-3-pyridin-2-ylprop-2-enamide

N-(2,5-difluoro-4-methylphenyl)sulfonyl-3-pyridin-2-ylprop-2-enamide (PubChem CID 91943550) has the molecular formula C15H12F2N2O3S and a molecular weight of 338.34 g/mol. Its IUPAC name is N-(2,5-difluoro-4-methylphenyl)sulfonyl-3-pyridin-2-ylprop-2-enamide.

Molecular Properties

Compound NameN-(2,5-difluoro-4-methylphenyl)sulfonyl-3-pyridin-2-ylprop-2-enamide
PubChem CID91943550
Molecular FormulaC15H12F2N2O3S
Molecular Weight338.34 g/mol
Exact Mass338.05
IUPAC NameN-(2,5-difluoro-4-methylphenyl)sulfonyl-3-pyridin-2-ylprop-2-enamide
SMILESCc1cc(F)c(S(=O)(=O)NC(=O)C=Cc2ccccn2)cc1F
InChIInChI=1S/C15H12F2N2O3S/c1-10-8-13(17)14(9-12(10)16)23(21,22)19-15(20)6-5-11-4-2-3-7-18-11/h2-9H,1H3,(H,19,20)
InChIKeyRNTMMVCNYFFYGL-UHFFFAOYSA-N
XLogP2.19
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.34
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(2,5-difluoro-4-methylphenyl)sulfonyl-3-pyridin-2-ylprop-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-(2,5-difluoro-4-methylphenyl)sulfonyl-3-pyridin-2-ylprop-2-enamide?
The IUPAC name of N-(2,5-difluoro-4-methylphenyl)sulfonyl-3-pyridin-2-ylprop-2-enamide (CID 91943550) is N-(2,5-difluoro-4-methylphenyl)sulfonyl-3-pyridin-2-ylprop-2-enamide.
What is the SMILES notation for N-(2,5-difluoro-4-methylphenyl)sulfonyl-3-pyridin-2-ylprop-2-enamide?
The canonical SMILES for N-(2,5-difluoro-4-methylphenyl)sulfonyl-3-pyridin-2-ylprop-2-enamide is Cc1cc(F)c(S(=O)(=O)NC(=O)C=Cc2ccccn2)cc1F.
What is the InChIKey of N-(2,5-difluoro-4-methylphenyl)sulfonyl-3-pyridin-2-ylprop-2-enamide?
The InChIKey is RNTMMVCNYFFYGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N2O3S/c1-10-8-13(17)14(9-12(10)16)23(21,22)19-15(20)6-5-11-4-2-3-7-18-11/h2-9H,1H3,(H,19,20).
What are the key properties of N-(2,5-difluoro-4-methylphenyl)sulfonyl-3-pyridin-2-ylprop-2-enamide?
N-(2,5-difluoro-4-methylphenyl)sulfonyl-3-pyridin-2-ylprop-2-enamide has a molecular weight of 338.34 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluoro-4-methylphenyl)sulfonyl-3-pyridin-2-ylprop-2-enamide is sourced from PubChem (CID 91943550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).