N-(4-chloro-3-pyridin-2-ylphenyl)-2-(3-fluorophenyl)-4-methylsulfonylbenzamide

C25H18ClFN2O3S — CID 50914598

IUPACN-(4-chloro-3-pyridin-2-ylphenyl)-2-(3-fluorophenyl)-4-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(-c2cccc(F)c2)c1
InChIInChI=1S/C25H18ClFN2O3S/c1-33(31,32)19-9-10-20(21(15-19)16-5-4-6-17(27)13-16)25(30)29-18-8-11-23(26)22(14-18)24-7-2-3-12-28-24/h2-15H,1H3,(H,29,30)
InChIKeyYOHQDWMBMJKFAI-UHFFFAOYSA-N
MW480.95 g/mol
LogP5.86
Rot. Bonds5

About N-(4-chloro-3-pyridin-2-ylphenyl)-2-(3-fluorophenyl)-4-methylsulfonylbenzamide

N-(4-chloro-3-pyridin-2-ylphenyl)-2-(3-fluorophenyl)-4-methylsulfonylbenzamide (PubChem CID 50914598) has the molecular formula C25H18ClFN2O3S and a molecular weight of 480.95 g/mol. Its IUPAC name is N-(4-chloro-3-pyridin-2-ylphenyl)-2-(3-fluorophenyl)-4-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-(4-chloro-3-pyridin-2-ylphenyl)-2-(3-fluorophenyl)-4-methylsulfonylbenzamide
PubChem CID50914598
Molecular FormulaC25H18ClFN2O3S
Molecular Weight480.95 g/mol
Exact Mass480.07
IUPAC NameN-(4-chloro-3-pyridin-2-ylphenyl)-2-(3-fluorophenyl)-4-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(-c2cccc(F)c2)c1
InChIInChI=1S/C25H18ClFN2O3S/c1-33(31,32)19-9-10-20(21(15-19)16-5-4-6-17(27)13-16)25(30)29-18-8-11-23(26)22(14-18)24-7-2-3-12-28-24/h2-15H,1H3,(H,29,30)
InChIKeyYOHQDWMBMJKFAI-UHFFFAOYSA-N
XLogP5.86
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.95
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-pyridin-2-ylphenyl)-2-(3-fluorophenyl)-4-methylsulfonylbenzamide?
The IUPAC name of N-(4-chloro-3-pyridin-2-ylphenyl)-2-(3-fluorophenyl)-4-methylsulfonylbenzamide (CID 50914598) is N-(4-chloro-3-pyridin-2-ylphenyl)-2-(3-fluorophenyl)-4-methylsulfonylbenzamide.
What is the SMILES notation for N-(4-chloro-3-pyridin-2-ylphenyl)-2-(3-fluorophenyl)-4-methylsulfonylbenzamide?
The canonical SMILES for N-(4-chloro-3-pyridin-2-ylphenyl)-2-(3-fluorophenyl)-4-methylsulfonylbenzamide is CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(-c2cccc(F)c2)c1.
What is the InChIKey of N-(4-chloro-3-pyridin-2-ylphenyl)-2-(3-fluorophenyl)-4-methylsulfonylbenzamide?
The InChIKey is YOHQDWMBMJKFAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18ClFN2O3S/c1-33(31,32)19-9-10-20(21(15-19)16-5-4-6-17(27)13-16)25(30)29-18-8-11-23(26)22(14-18)24-7-2-3-12-28-24/h2-15H,1H3,(H,29,30).
What are the key properties of N-(4-chloro-3-pyridin-2-ylphenyl)-2-(3-fluorophenyl)-4-methylsulfonylbenzamide?
N-(4-chloro-3-pyridin-2-ylphenyl)-2-(3-fluorophenyl)-4-methylsulfonylbenzamide has a molecular weight of 480.95 g/mol, XLogP of 5.86, 5 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)-2-(3-fluorophenyl)-4-methylsulfonylbenzamide is sourced from PubChem (CID 50914598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).