4-chloro-N-(6-methoxy-3-pyridinyl)-3-(3-methylsulfonylphenyl)benzamide

C20H17ClN2O4S — CID 91556958

IUPAC4-chloro-N-(6-methoxy-3-pyridinyl)-3-(3-methylsulfonylphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(Cl)c(-c3cccc(S(C)(=O)=O)c3)c2)cn1
InChIInChI=1S/C20H17ClN2O4S/c1-27-19-9-7-15(12-22-19)23-20(24)14-6-8-18(21)17(11-14)13-4-3-5-16(10-13)28(2,25)26/h3-12H,1-2H3,(H,23,24)
InChIKeyLIZKOZHBXZVWMD-UHFFFAOYSA-N
MW416.89 g/mol
LogP4.07
Rot. Bonds5

About 4-chloro-N-(6-methoxy-3-pyridinyl)-3-(3-methylsulfonylphenyl)benzamide

4-chloro-N-(6-methoxy-3-pyridinyl)-3-(3-methylsulfonylphenyl)benzamide (PubChem CID 91556958) has the molecular formula C20H17ClN2O4S and a molecular weight of 416.89 g/mol. Its IUPAC name is 4-chloro-N-(6-methoxy-3-pyridinyl)-3-(3-methylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(6-methoxy-3-pyridinyl)-3-(3-methylsulfonylphenyl)benzamide
PubChem CID91556958
Molecular FormulaC20H17ClN2O4S
Molecular Weight416.89 g/mol
Exact Mass416.06
IUPAC Name4-chloro-N-(6-methoxy-3-pyridinyl)-3-(3-methylsulfonylphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(Cl)c(-c3cccc(S(C)(=O)=O)c3)c2)cn1
InChIInChI=1S/C20H17ClN2O4S/c1-27-19-9-7-15(12-22-19)23-20(24)14-6-8-18(21)17(11-14)13-4-3-5-16(10-13)28(2,25)26/h3-12H,1-2H3,(H,23,24)
InChIKeyLIZKOZHBXZVWMD-UHFFFAOYSA-N
XLogP4.07
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.89
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(6-methoxy-3-pyridinyl)-3-(3-methylsulfonylphenyl)benzamide?
The IUPAC name of 4-chloro-N-(6-methoxy-3-pyridinyl)-3-(3-methylsulfonylphenyl)benzamide (CID 91556958) is 4-chloro-N-(6-methoxy-3-pyridinyl)-3-(3-methylsulfonylphenyl)benzamide.
What is the SMILES notation for 4-chloro-N-(6-methoxy-3-pyridinyl)-3-(3-methylsulfonylphenyl)benzamide?
The canonical SMILES for 4-chloro-N-(6-methoxy-3-pyridinyl)-3-(3-methylsulfonylphenyl)benzamide is COc1ccc(NC(=O)c2ccc(Cl)c(-c3cccc(S(C)(=O)=O)c3)c2)cn1.
What is the InChIKey of 4-chloro-N-(6-methoxy-3-pyridinyl)-3-(3-methylsulfonylphenyl)benzamide?
The InChIKey is LIZKOZHBXZVWMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O4S/c1-27-19-9-7-15(12-22-19)23-20(24)14-6-8-18(21)17(11-14)13-4-3-5-16(10-13)28(2,25)26/h3-12H,1-2H3,(H,23,24).
What are the key properties of 4-chloro-N-(6-methoxy-3-pyridinyl)-3-(3-methylsulfonylphenyl)benzamide?
4-chloro-N-(6-methoxy-3-pyridinyl)-3-(3-methylsulfonylphenyl)benzamide has a molecular weight of 416.89 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(6-methoxy-3-pyridinyl)-3-(3-methylsulfonylphenyl)benzamide is sourced from PubChem (CID 91556958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).