3-(4-chloro-3-pyridin-2-ylphenyl)-4-propylsulfonylbenzamide

C21H19ClN2O3S — CID 142777433

IUPAC3-(4-chloro-3-pyridin-2-ylphenyl)-4-propylsulfonylbenzamide
SMILESCCCS(=O)(=O)c1ccc(C(N)=O)cc1-c1ccc(Cl)c(-c2ccccn2)c1
InChIInChI=1S/C21H19ClN2O3S/c1-2-11-28(26,27)20-9-7-15(21(23)25)13-16(20)14-6-8-18(22)17(12-14)19-5-3-4-10-24-19/h3-10,12-13H,2,11H2,1H3,(H2,23,25)
InChIKeyUQCFOXDHEWHKLD-UHFFFAOYSA-N
MW414.91 g/mol
LogP4.35
Rot. Bonds6

About 3-(4-chloro-3-pyridin-2-ylphenyl)-4-propylsulfonylbenzamide

3-(4-chloro-3-pyridin-2-ylphenyl)-4-propylsulfonylbenzamide (PubChem CID 142777433) has the molecular formula C21H19ClN2O3S and a molecular weight of 414.91 g/mol. Its IUPAC name is 3-(4-chloro-3-pyridin-2-ylphenyl)-4-propylsulfonylbenzamide.

Molecular Properties

Compound Name3-(4-chloro-3-pyridin-2-ylphenyl)-4-propylsulfonylbenzamide
PubChem CID142777433
Molecular FormulaC21H19ClN2O3S
Molecular Weight414.91 g/mol
Exact Mass414.08
IUPAC Name3-(4-chloro-3-pyridin-2-ylphenyl)-4-propylsulfonylbenzamide
SMILESCCCS(=O)(=O)c1ccc(C(N)=O)cc1-c1ccc(Cl)c(-c2ccccn2)c1
InChIInChI=1S/C21H19ClN2O3S/c1-2-11-28(26,27)20-9-7-15(21(23)25)13-16(20)14-6-8-18(22)17(12-14)19-5-3-4-10-24-19/h3-10,12-13H,2,11H2,1H3,(H2,23,25)
InChIKeyUQCFOXDHEWHKLD-UHFFFAOYSA-N
XLogP4.35
TPSA90.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.91
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-3-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxyethylsulfonyl)benzamide
CID 142777362
3-(4-chloro-3-pyridin-2-ylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 142786865
2-chloro-3-(4-chloro-3-pyridin-2-ylphenyl)benzamide
CID 142777383
1-(4-chloro-3-pyridin-2-ylphenyl)-2,2-dimethylpropan-1-one
CID 71105825
2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-1-N-(2-methoxyethyl)benzene-1,4-dicarboxamide
CID 121363912
2-chloro-4-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-[3-(diethylamino)propyl]benzene-1,4-dicarboxamide
CID 67456409
1-N-(2-anilinoethyl)-2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)benzene-1,4-dicarboxamide
CID 154248419
N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-methylsulfonylethyl)benzamide
CID 66878311
N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-methylsulfonylethylsulfamoyl)benzamide
CID 58614881
N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-methoxyethylsulfonyl)benzamide
CID 58614690
N-(4-chloro-3-pyridin-2-ylphenyl)-6-(propylamino)pyridine-3-carboxamide
CID 170126154
3-chloro-4-pyridin-2-ylbenzoic acid
CID 68948514

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-3-pyridin-2-ylphenyl)-4-propylsulfonylbenzamide?
The IUPAC name of 3-(4-chloro-3-pyridin-2-ylphenyl)-4-propylsulfonylbenzamide (CID 142777433) is 3-(4-chloro-3-pyridin-2-ylphenyl)-4-propylsulfonylbenzamide.
What is the SMILES notation for 3-(4-chloro-3-pyridin-2-ylphenyl)-4-propylsulfonylbenzamide?
The canonical SMILES for 3-(4-chloro-3-pyridin-2-ylphenyl)-4-propylsulfonylbenzamide is CCCS(=O)(=O)c1ccc(C(N)=O)cc1-c1ccc(Cl)c(-c2ccccn2)c1.
What is the InChIKey of 3-(4-chloro-3-pyridin-2-ylphenyl)-4-propylsulfonylbenzamide?
The InChIKey is UQCFOXDHEWHKLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O3S/c1-2-11-28(26,27)20-9-7-15(21(23)25)13-16(20)14-6-8-18(22)17(12-14)19-5-3-4-10-24-19/h3-10,12-13H,2,11H2,1H3,(H2,23,25).
What are the key properties of 3-(4-chloro-3-pyridin-2-ylphenyl)-4-propylsulfonylbenzamide?
3-(4-chloro-3-pyridin-2-ylphenyl)-4-propylsulfonylbenzamide has a molecular weight of 414.91 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-3-pyridin-2-ylphenyl)-4-propylsulfonylbenzamide is sourced from PubChem (CID 142777433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).