2-chloro-3-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxyethylsulfonyl)benzamide

C20H16Cl2N2O4S — CID 142777362

IUPAC2-chloro-3-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxyethylsulfonyl)benzamide
SMILESNC(=O)c1ccc(S(=O)(=O)CCO)c(-c2ccc(Cl)c(-c3ccccn3)c2)c1Cl
InChIInChI=1S/C20H16Cl2N2O4S/c21-15-6-4-12(11-14(15)16-3-1-2-8-24-16)18-17(29(27,28)10-9-25)7-5-13(19(18)22)20(23)26/h1-8,11,25H,9-10H2,(H2,23,26)
InChIKeyKPRGHOUVOYPQRK-UHFFFAOYSA-N
MW451.33 g/mol
LogP3.59
Rot. Bonds6

About 2-chloro-3-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxyethylsulfonyl)benzamide

2-chloro-3-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxyethylsulfonyl)benzamide (PubChem CID 142777362) has the molecular formula C20H16Cl2N2O4S and a molecular weight of 451.33 g/mol. Its IUPAC name is 2-chloro-3-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxyethylsulfonyl)benzamide.

Molecular Properties

Compound Name2-chloro-3-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxyethylsulfonyl)benzamide
PubChem CID142777362
Molecular FormulaC20H16Cl2N2O4S
Molecular Weight451.33 g/mol
Exact Mass450.02
IUPAC Name2-chloro-3-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxyethylsulfonyl)benzamide
SMILESNC(=O)c1ccc(S(=O)(=O)CCO)c(-c2ccc(Cl)c(-c3ccccn3)c2)c1Cl
InChIInChI=1S/C20H16Cl2N2O4S/c21-15-6-4-12(11-14(15)16-3-1-2-8-24-16)18-17(29(27,28)10-9-25)7-5-13(19(18)22)20(23)26/h1-8,11,25H,9-10H2,(H2,23,26)
InChIKeyKPRGHOUVOYPQRK-UHFFFAOYSA-N
XLogP3.59
TPSA110.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.33
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-3-(4-chloro-3-pyridin-2-ylphenyl)benzamide
CID 142777383
3-(4-chloro-3-pyridin-2-ylphenyl)-4-propylsulfonylbenzamide
CID 142777433
2-(3-pyridin-2-yl-2-pyridinyl)pyridine-3-carboxamide
CID 91031305
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
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-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 150867908
3-(4-chloro-3-pyridin-2-ylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 142786865
2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-1-N-(2-methoxyethyl)benzene-1,4-dicarboxamide
CID 121363912
2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-N-methylbenzamide
CID 170123465
4-chloro-5-phenyl-2-pyridin-2-ylbenzoic acid
CID 68955463
2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxyethylsulfinyl)benzamide
CID 143198912

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxyethylsulfonyl)benzamide?
The IUPAC name of 2-chloro-3-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxyethylsulfonyl)benzamide (CID 142777362) is 2-chloro-3-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxyethylsulfonyl)benzamide.
What is the SMILES notation for 2-chloro-3-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxyethylsulfonyl)benzamide?
The canonical SMILES for 2-chloro-3-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxyethylsulfonyl)benzamide is NC(=O)c1ccc(S(=O)(=O)CCO)c(-c2ccc(Cl)c(-c3ccccn3)c2)c1Cl.
What is the InChIKey of 2-chloro-3-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxyethylsulfonyl)benzamide?
The InChIKey is KPRGHOUVOYPQRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl2N2O4S/c21-15-6-4-12(11-14(15)16-3-1-2-8-24-16)18-17(29(27,28)10-9-25)7-5-13(19(18)22)20(23)26/h1-8,11,25H,9-10H2,(H2,23,26).
What are the key properties of 2-chloro-3-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxyethylsulfonyl)benzamide?
2-chloro-3-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxyethylsulfonyl)benzamide has a molecular weight of 451.33 g/mol, XLogP of 3.59, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxyethylsulfonyl)benzamide is sourced from PubChem (CID 142777362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).