N-(4-chloro-3-pyridin-2-ylphenyl)-4-ethylsulfonyl-2-methylbenzamide

C21H19ClN2O3S — CID 58614661

IUPACN-(4-chloro-3-pyridin-2-ylphenyl)-4-ethylsulfonyl-2-methylbenzamide
SMILESCCS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(C)c1
InChIInChI=1S/C21H19ClN2O3S/c1-3-28(26,27)16-8-9-17(14(2)12-16)21(25)24-15-7-10-19(22)18(13-15)20-6-4-5-11-23-20/h4-13H,3H2,1-2H3,(H,24,25)
InChIKeyBCBPYGNQILBSFA-UHFFFAOYSA-N
MW414.91 g/mol
LogP4.76
Rot. Bonds5

About N-(4-chloro-3-pyridin-2-ylphenyl)-4-ethylsulfonyl-2-methylbenzamide

N-(4-chloro-3-pyridin-2-ylphenyl)-4-ethylsulfonyl-2-methylbenzamide (PubChem CID 58614661) has the molecular formula C21H19ClN2O3S and a molecular weight of 414.91 g/mol. Its IUPAC name is N-(4-chloro-3-pyridin-2-ylphenyl)-4-ethylsulfonyl-2-methylbenzamide.

Molecular Properties

Compound NameN-(4-chloro-3-pyridin-2-ylphenyl)-4-ethylsulfonyl-2-methylbenzamide
PubChem CID58614661
Molecular FormulaC21H19ClN2O3S
Molecular Weight414.91 g/mol
Exact Mass414.08
IUPAC NameN-(4-chloro-3-pyridin-2-ylphenyl)-4-ethylsulfonyl-2-methylbenzamide
SMILESCCS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(C)c1
InChIInChI=1S/C21H19ClN2O3S/c1-3-28(26,27)16-8-9-17(14(2)12-16)21(25)24-15-7-10-19(22)18(13-15)20-6-4-5-11-23-20/h4-13H,3H2,1-2H3,(H,24,25)
InChIKeyBCBPYGNQILBSFA-UHFFFAOYSA-N
XLogP4.76
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.91
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-ethylsulfonylbenzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-propan-2-ylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-ethylsulfonyl-2-methylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-propan-2-ylsulfonylbenzamide
CID 159003810
N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-4-(methylsulfonylmethyl)benzamide
CID 58614842
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)-2,6-dimethylpyridine-3-carboxamide
CID 45485759
2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-6-(methylsulfonylmethyl)pyridine-3-carboxamide
CID 118014894
N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-methoxyethylsulfonyl)benzamide
CID 58614690
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-methyl-4-(piperazine-1-carbonyl)benzamide
CID 170123949
N-(4-chloro-3-pyridin-2-ylphenyl)-2-(4-methoxy-3-methylphenyl)-4-methylsulfonylbenzamide
CID 70797287
2-(3-chloro-2-fluorophenyl)-N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfonylbenzamide
CID 70797233
N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-methylsulfonylethylsulfamoyl)benzamide
CID 58614881

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-pyridin-2-ylphenyl)-4-ethylsulfonyl-2-methylbenzamide?
The IUPAC name of N-(4-chloro-3-pyridin-2-ylphenyl)-4-ethylsulfonyl-2-methylbenzamide (CID 58614661) is N-(4-chloro-3-pyridin-2-ylphenyl)-4-ethylsulfonyl-2-methylbenzamide.
What is the SMILES notation for N-(4-chloro-3-pyridin-2-ylphenyl)-4-ethylsulfonyl-2-methylbenzamide?
The canonical SMILES for N-(4-chloro-3-pyridin-2-ylphenyl)-4-ethylsulfonyl-2-methylbenzamide is CCS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(C)c1.
What is the InChIKey of N-(4-chloro-3-pyridin-2-ylphenyl)-4-ethylsulfonyl-2-methylbenzamide?
The InChIKey is BCBPYGNQILBSFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O3S/c1-3-28(26,27)16-8-9-17(14(2)12-16)21(25)24-15-7-10-19(22)18(13-15)20-6-4-5-11-23-20/h4-13H,3H2,1-2H3,(H,24,25).
What are the key properties of N-(4-chloro-3-pyridin-2-ylphenyl)-4-ethylsulfonyl-2-methylbenzamide?
N-(4-chloro-3-pyridin-2-ylphenyl)-4-ethylsulfonyl-2-methylbenzamide has a molecular weight of 414.91 g/mol, XLogP of 4.76, 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)-4-ethylsulfonyl-2-methylbenzamide is sourced from PubChem (CID 58614661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).