N-(4-chloro-3-pyridin-2-ylphenyl)-4-(trifluoromethylsulfonyl)benzamide

C19H12ClF3N2O3S — CID 58614807

IUPACN-(4-chloro-3-pyridin-2-ylphenyl)-4-(trifluoromethylsulfonyl)benzamide
SMILESO=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(S(=O)(=O)C(F)(F)F)cc1
InChIInChI=1S/C19H12ClF3N2O3S/c20-16-9-6-13(11-15(16)17-3-1-2-10-24-17)25-18(26)12-4-7-14(8-5-12)29(27,28)19(21,22)23/h1-11H,(H,25,26)
InChIKeyYBNQNBXZMPIZOI-UHFFFAOYSA-N
MW440.83 g/mol
LogP4.95
Rot. Bonds4

About N-(4-chloro-3-pyridin-2-ylphenyl)-4-(trifluoromethylsulfonyl)benzamide

N-(4-chloro-3-pyridin-2-ylphenyl)-4-(trifluoromethylsulfonyl)benzamide (PubChem CID 58614807) has the molecular formula C19H12ClF3N2O3S and a molecular weight of 440.83 g/mol. Its IUPAC name is N-(4-chloro-3-pyridin-2-ylphenyl)-4-(trifluoromethylsulfonyl)benzamide.

Molecular Properties

Compound NameN-(4-chloro-3-pyridin-2-ylphenyl)-4-(trifluoromethylsulfonyl)benzamide
PubChem CID58614807
Molecular FormulaC19H12ClF3N2O3S
Molecular Weight440.83 g/mol
Exact Mass440.02
IUPAC NameN-(4-chloro-3-pyridin-2-ylphenyl)-4-(trifluoromethylsulfonyl)benzamide
SMILESO=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(S(=O)(=O)C(F)(F)F)cc1
InChIInChI=1S/C19H12ClF3N2O3S/c20-16-9-6-13(11-15(16)17-3-1-2-10-24-17)25-18(26)12-4-7-14(8-5-12)29(27,28)19(21,22)23/h1-11H,(H,25,26)
InChIKeyYBNQNBXZMPIZOI-UHFFFAOYSA-N
XLogP4.95
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.83
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4-chloro-3-pyridin-2-ylphenyl)-4-(trifluoromethylsulfonyl)benzamide 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-(4-chloro-3-pyridin-2-ylphenyl)-4-(trifluoromethylsulfonyl)benzamide?
The IUPAC name of N-(4-chloro-3-pyridin-2-ylphenyl)-4-(trifluoromethylsulfonyl)benzamide (CID 58614807) is N-(4-chloro-3-pyridin-2-ylphenyl)-4-(trifluoromethylsulfonyl)benzamide.
What is the SMILES notation for N-(4-chloro-3-pyridin-2-ylphenyl)-4-(trifluoromethylsulfonyl)benzamide?
The canonical SMILES for N-(4-chloro-3-pyridin-2-ylphenyl)-4-(trifluoromethylsulfonyl)benzamide is O=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(S(=O)(=O)C(F)(F)F)cc1.
What is the InChIKey of N-(4-chloro-3-pyridin-2-ylphenyl)-4-(trifluoromethylsulfonyl)benzamide?
The InChIKey is YBNQNBXZMPIZOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClF3N2O3S/c20-16-9-6-13(11-15(16)17-3-1-2-10-24-17)25-18(26)12-4-7-14(8-5-12)29(27,28)19(21,22)23/h1-11H,(H,25,26).
What are the key properties of N-(4-chloro-3-pyridin-2-ylphenyl)-4-(trifluoromethylsulfonyl)benzamide?
N-(4-chloro-3-pyridin-2-ylphenyl)-4-(trifluoromethylsulfonyl)benzamide has a molecular weight of 440.83 g/mol, XLogP of 4.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-pyridin-2-ylphenyl)-4-(trifluoromethylsulfonyl)benzamide is sourced from PubChem (CID 58614807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).