N-(4-chlorophenyl)-2-(pyridin-4-ylmethylsulfanyl)benzamide

C19H15ClN2OS — CID 10450827

IUPACN-(4-chlorophenyl)-2-(pyridin-4-ylmethylsulfanyl)benzamide
SMILESO=C(Nc1ccc(Cl)cc1)c1ccccc1SCc1ccncc1
InChIInChI=1S/C19H15ClN2OS/c20-15-5-7-16(8-6-15)22-19(23)17-3-1-2-4-18(17)24-13-14-9-11-21-12-10-14/h1-12H,13H2,(H,22,23)
InChIKeyVEGDXHXEGCZBEY-UHFFFAOYSA-N
MW354.86 g/mol
LogP5.28
Rot. Bonds5

About N-(4-chlorophenyl)-2-(pyridin-4-ylmethylsulfanyl)benzamide

N-(4-chlorophenyl)-2-(pyridin-4-ylmethylsulfanyl)benzamide (PubChem CID 10450827) has the molecular formula C19H15ClN2OS and a molecular weight of 354.86 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-(pyridin-4-ylmethylsulfanyl)benzamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-(pyridin-4-ylmethylsulfanyl)benzamide
PubChem CID10450827
Molecular FormulaC19H15ClN2OS
Molecular Weight354.86 g/mol
Exact Mass354.06
IUPAC NameN-(4-chlorophenyl)-2-(pyridin-4-ylmethylsulfanyl)benzamide
SMILESO=C(Nc1ccc(Cl)cc1)c1ccccc1SCc1ccncc1
InChIInChI=1S/C19H15ClN2OS/c20-15-5-7-16(8-6-15)22-19(23)17-3-1-2-4-18(17)24-13-14-9-11-21-12-10-14/h1-12H,13H2,(H,22,23)
InChIKeyVEGDXHXEGCZBEY-UHFFFAOYSA-N
XLogP5.28
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.86
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-(pyridin-4-ylmethylsulfanyl)benzamide?
The IUPAC name of N-(4-chlorophenyl)-2-(pyridin-4-ylmethylsulfanyl)benzamide (CID 10450827) is N-(4-chlorophenyl)-2-(pyridin-4-ylmethylsulfanyl)benzamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-(pyridin-4-ylmethylsulfanyl)benzamide?
The canonical SMILES for N-(4-chlorophenyl)-2-(pyridin-4-ylmethylsulfanyl)benzamide is O=C(Nc1ccc(Cl)cc1)c1ccccc1SCc1ccncc1.
What is the InChIKey of N-(4-chlorophenyl)-2-(pyridin-4-ylmethylsulfanyl)benzamide?
The InChIKey is VEGDXHXEGCZBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2OS/c20-15-5-7-16(8-6-15)22-19(23)17-3-1-2-4-18(17)24-13-14-9-11-21-12-10-14/h1-12H,13H2,(H,22,23).
What are the key properties of N-(4-chlorophenyl)-2-(pyridin-4-ylmethylsulfanyl)benzamide?
N-(4-chlorophenyl)-2-(pyridin-4-ylmethylsulfanyl)benzamide has a molecular weight of 354.86 g/mol, XLogP of 5.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-(pyridin-4-ylmethylsulfanyl)benzamide is sourced from PubChem (CID 10450827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).