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

C25H17Cl2FN2O3S — CID 70797233

IUPAC2-(3-chloro-2-fluorophenyl)-N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(-c2cccc(Cl)c2F)c1
InChIInChI=1S/C25H17Cl2FN2O3S/c1-34(32,33)16-9-10-18(19(14-16)17-5-4-6-22(27)24(17)28)25(31)30-15-8-11-21(26)20(13-15)23-7-2-3-12-29-23/h2-14H,1H3,(H,30,31)
InChIKeyLCRQKFVIHUNJCP-UHFFFAOYSA-N
MW515.39 g/mol
LogP6.52
Rot. Bonds5

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

2-(3-chloro-2-fluorophenyl)-N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfonylbenzamide (PubChem CID 70797233) has the molecular formula C25H17Cl2FN2O3S and a molecular weight of 515.39 g/mol. Its IUPAC name is 2-(3-chloro-2-fluorophenyl)-N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfonylbenzamide.

Molecular Properties

Compound Name2-(3-chloro-2-fluorophenyl)-N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfonylbenzamide
PubChem CID70797233
Molecular FormulaC25H17Cl2FN2O3S
Molecular Weight515.39 g/mol
Exact Mass514.03
IUPAC Name2-(3-chloro-2-fluorophenyl)-N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(-c2cccc(Cl)c2F)c1
InChIInChI=1S/C25H17Cl2FN2O3S/c1-34(32,33)16-9-10-18(19(14-16)17-5-4-6-22(27)24(17)28)25(31)30-15-8-11-21(26)20(13-15)23-7-2-3-12-29-23/h2-14H,1H3,(H,30,31)
InChIKeyLCRQKFVIHUNJCP-UHFFFAOYSA-N
XLogP6.52
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.39
LogP ≤ 56.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chloro-3-pyridin-2-ylphenyl)-2-(2,3-dichlorophenyl)-4-methylsulfonylbenzamide
CID 70797228
N-(4-chloro-3-pyridin-2-ylphenyl)-2-(3-methoxy-2-methylphenyl)-4-methylsulfonylbenzamide
CID 70797280
N-(4-chloro-3-pyridin-2-ylphenyl)-2-(2-fluoro-4-methoxyphenyl)-4-methylsulfonylbenzamide
CID 70797407
2-chloro-N-(4-chloro-3-pyridin-2-yl(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)-4-(trideuterio(113C)methylsulfonyl)benzamide
CID 91971550
N-(4-chloro-3-pyridin-2-ylphenyl)-2-(4-methoxy-3-methylphenyl)-4-methylsulfonylbenzamide
CID 70797287
2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-6-(methylsulfonylmethyl)pyridine-3-carboxamide
CID 118014894
N-(4-chloro-3-pyridin-2-ylphenyl)-2,6-dimethylpyridine-3-carboxamide
CID 45485759
N-(4-chloro-3-pyridin-2-ylphenyl)-4-ethylsulfonyl-2-methylbenzamide
CID 58614661
2-fluoro-6-[5-methylsulfonyl-2-[(3-pyridin-2-ylphenyl)carbamoyl]phenyl]benzamide
CID 70797434
N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-4-(methylsulfonylmethyl)benzamide
CID 58614842
N-(4-chloro-3-pyridin-2-ylphenyl)-2-(2-fluoro-5-methylphenyl)-4-methylsulfanylbenzamide
CID 123710564
2-(5-chloro-2-methoxyphenyl)-N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfanylbenzamide
CID 123487588

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-fluorophenyl)-N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfonylbenzamide?
The IUPAC name of 2-(3-chloro-2-fluorophenyl)-N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfonylbenzamide (CID 70797233) is 2-(3-chloro-2-fluorophenyl)-N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfonylbenzamide.
What is the SMILES notation for 2-(3-chloro-2-fluorophenyl)-N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfonylbenzamide?
The canonical SMILES for 2-(3-chloro-2-fluorophenyl)-N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfonylbenzamide is CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(-c2cccc(Cl)c2F)c1.
What is the InChIKey of 2-(3-chloro-2-fluorophenyl)-N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfonylbenzamide?
The InChIKey is LCRQKFVIHUNJCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17Cl2FN2O3S/c1-34(32,33)16-9-10-18(19(14-16)17-5-4-6-22(27)24(17)28)25(31)30-15-8-11-21(26)20(13-15)23-7-2-3-12-29-23/h2-14H,1H3,(H,30,31).
What are the key properties of 2-(3-chloro-2-fluorophenyl)-N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfonylbenzamide?
2-(3-chloro-2-fluorophenyl)-N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfonylbenzamide has a molecular weight of 515.39 g/mol, XLogP of 6.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-fluorophenyl)-N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfonylbenzamide is sourced from PubChem (CID 70797233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).