2-benzylsulfanyl-N-(5-chloro-2-pyridinyl)benzamide

C19H15ClN2OS — CID 2883575

IUPAC2-benzylsulfanyl-N-(5-chloro-2-pyridinyl)benzamide
SMILESO=C(Nc1ccc(Cl)cn1)c1ccccc1SCc1ccccc1
InChIInChI=1S/C19H15ClN2OS/c20-15-10-11-18(21-12-15)22-19(23)16-8-4-5-9-17(16)24-13-14-6-2-1-3-7-14/h1-12H,13H2,(H,21,22,23)
InChIKeyGJTDQLDXYJMYAI-UHFFFAOYSA-N
MW354.86 g/mol
LogP5.28
Rot. Bonds5

About 2-benzylsulfanyl-N-(5-chloro-2-pyridinyl)benzamide

2-benzylsulfanyl-N-(5-chloro-2-pyridinyl)benzamide (PubChem CID 2883575) has the molecular formula C19H15ClN2OS and a molecular weight of 354.86 g/mol. Its IUPAC name is 2-benzylsulfanyl-N-(5-chloro-2-pyridinyl)benzamide.

Molecular Properties

Compound Name2-benzylsulfanyl-N-(5-chloro-2-pyridinyl)benzamide
PubChem CID2883575
Molecular FormulaC19H15ClN2OS
Molecular Weight354.86 g/mol
Exact Mass354.06
IUPAC Name2-benzylsulfanyl-N-(5-chloro-2-pyridinyl)benzamide
SMILESO=C(Nc1ccc(Cl)cn1)c1ccccc1SCc1ccccc1
InChIInChI=1S/C19H15ClN2OS/c20-15-10-11-18(21-12-15)22-19(23)16-8-4-5-9-17(16)24-13-14-6-2-1-3-7-14/h1-12H,13H2,(H,21,22,23)
InChIKeyGJTDQLDXYJMYAI-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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Related Compounds

2-chloro-N-(5-chloropyridin-2-yl)-5-methylsulfanylbenzamide
CID 690117
N-(5-chloropyridin-2-yl)-5-propylthiophene-3-carboxamide
CID 1246828
3-chloro-N-(pyridin-2-yl)-1-benzothiophene-2-carboxamide
CID 805019
N-(5-Chloro-pyridin-2-yl)-3-(piperidine-1-sulfonyl)-benzamide
CID 1124159
Benzamide, N-(5-chloro-2-pyridinyl)-2-fluoro-
CID 36851
N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-methylsulfanylbenzamide
CID 44565740
3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-N-(5-chloro-2-pyridinyl)-4-fluorobenzamide
CID 164625029
2-chloro-N-(5-methylpyridin-2-yl)-5-methylsulfanylbenzamide
CID 1224965
3-chloro-4-fluoro-N-pyridin-2-yl-1-benzothiophene-2-carboxamide
CID 1244206
N-((5-chloropyridin-2-yl)carbamoyl)benzamide
CID 2987279
ST50631408
CID 3929829
3-chloro-N-(3-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide
CID 4557860

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-N-(5-chloro-2-pyridinyl)benzamide?
The IUPAC name of 2-benzylsulfanyl-N-(5-chloro-2-pyridinyl)benzamide (CID 2883575) is 2-benzylsulfanyl-N-(5-chloro-2-pyridinyl)benzamide.
What is the SMILES notation for 2-benzylsulfanyl-N-(5-chloro-2-pyridinyl)benzamide?
The canonical SMILES for 2-benzylsulfanyl-N-(5-chloro-2-pyridinyl)benzamide is O=C(Nc1ccc(Cl)cn1)c1ccccc1SCc1ccccc1.
What is the InChIKey of 2-benzylsulfanyl-N-(5-chloro-2-pyridinyl)benzamide?
The InChIKey is GJTDQLDXYJMYAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2OS/c20-15-10-11-18(21-12-15)22-19(23)16-8-4-5-9-17(16)24-13-14-6-2-1-3-7-14/h1-12H,13H2,(H,21,22,23).
What are the key properties of 2-benzylsulfanyl-N-(5-chloro-2-pyridinyl)benzamide?
2-benzylsulfanyl-N-(5-chloro-2-pyridinyl)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 2-benzylsulfanyl-N-(5-chloro-2-pyridinyl)benzamide is sourced from PubChem (CID 2883575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).