2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(2-methylsulfonylethyl)benzene-1,4-dicarboxamide

C22H19Cl2N3O4S — CID 58614737

IUPAC2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(2-methylsulfonylethyl)benzene-1,4-dicarboxamide
SMILESCS(=O)(=O)CCNC(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1
InChIInChI=1S/C22H19Cl2N3O4S/c1-32(30,31)11-10-26-21(28)14-5-7-16(19(24)12-14)22(29)27-15-6-8-18(23)17(13-15)20-4-2-3-9-25-20/h2-9,12-13H,10-11H2,1H3,(H,26,28)(H,27,29)
InChIKeyMMORMCBOIXVDTM-UHFFFAOYSA-N
MW492.38 g/mol
LogP4.08
Rot. Bonds7

About 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(2-methylsulfonylethyl)benzene-1,4-dicarboxamide

2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(2-methylsulfonylethyl)benzene-1,4-dicarboxamide (PubChem CID 58614737) has the molecular formula C22H19Cl2N3O4S and a molecular weight of 492.38 g/mol. Its IUPAC name is 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(2-methylsulfonylethyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(2-methylsulfonylethyl)benzene-1,4-dicarboxamide
PubChem CID58614737
Molecular FormulaC22H19Cl2N3O4S
Molecular Weight492.38 g/mol
Exact Mass491.05
IUPAC Name2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(2-methylsulfonylethyl)benzene-1,4-dicarboxamide
SMILESCS(=O)(=O)CCNC(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1
InChIInChI=1S/C22H19Cl2N3O4S/c1-32(30,31)11-10-26-21(28)14-5-7-16(19(24)12-14)22(29)27-15-6-8-18(23)17(13-15)20-4-2-3-9-25-20/h2-9,12-13H,10-11H2,1H3,(H,26,28)(H,27,29)
InChIKeyMMORMCBOIXVDTM-UHFFFAOYSA-N
XLogP4.08
TPSA105.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.38
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(2-methylsulfonylethyl)benzene-1,4-dicarboxamide?
The IUPAC name of 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(2-methylsulfonylethyl)benzene-1,4-dicarboxamide (CID 58614737) is 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(2-methylsulfonylethyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(2-methylsulfonylethyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(2-methylsulfonylethyl)benzene-1,4-dicarboxamide is CS(=O)(=O)CCNC(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1.
What is the InChIKey of 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(2-methylsulfonylethyl)benzene-1,4-dicarboxamide?
The InChIKey is MMORMCBOIXVDTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19Cl2N3O4S/c1-32(30,31)11-10-26-21(28)14-5-7-16(19(24)12-14)22(29)27-15-6-8-18(23)17(13-15)20-4-2-3-9-25-20/h2-9,12-13H,10-11H2,1H3,(H,26,28)(H,27,29).
What are the key properties of 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(2-methylsulfonylethyl)benzene-1,4-dicarboxamide?
2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(2-methylsulfonylethyl)benzene-1,4-dicarboxamide has a molecular weight of 492.38 g/mol, XLogP of 4.08, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(2-methylsulfonylethyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 58614737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).