2,4-dichloro-N-(2-pyridin-2-ylsulfanylethyl)benzamide

C14H12Cl2N2OS — CID 2284724

IUPAC2,4-dichloro-N-(2-pyridin-2-ylsulfanylethyl)benzamide
SMILESO=C(NCCSc1ccccn1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H12Cl2N2OS/c15-10-4-5-11(12(16)9-10)14(19)18-7-8-20-13-3-1-2-6-17-13/h1-6,9H,7-8H2,(H,18,19)
InChIKeyXRYNGYFVBDYCOA-UHFFFAOYSA-N
MW327.24 g/mol
LogP3.91
Rot. Bonds5

About 2,4-dichloro-N-(2-pyridin-2-ylsulfanylethyl)benzamide

2,4-dichloro-N-(2-pyridin-2-ylsulfanylethyl)benzamide (PubChem CID 2284724) has the molecular formula C14H12Cl2N2OS and a molecular weight of 327.24 g/mol. Its IUPAC name is 2,4-dichloro-N-(2-pyridin-2-ylsulfanylethyl)benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-(2-pyridin-2-ylsulfanylethyl)benzamide
PubChem CID2284724
Molecular FormulaC14H12Cl2N2OS
Molecular Weight327.24 g/mol
Exact Mass326.00
IUPAC Name2,4-dichloro-N-(2-pyridin-2-ylsulfanylethyl)benzamide
SMILESO=C(NCCSc1ccccn1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H12Cl2N2OS/c15-10-4-5-11(12(16)9-10)14(19)18-7-8-20-13-3-1-2-6-17-13/h1-6,9H,7-8H2,(H,18,19)
InChIKeyXRYNGYFVBDYCOA-UHFFFAOYSA-N
XLogP3.91
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.24
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Gsk3787
CID 2800647
2,4-dichloro-N-(pyridin-3-yl)benzamide
CID 599595
(3-Chloro-4-fluorophenyl)-[4-fluoro-4-[(2-pyridin-2-ylsulfanylethylamino)methyl]piperidin-1-yl]methanone
CID 132257069
N-[2-(4-chlorophenyl)ethyl]-2-methylsulfanylpyridine-3-carboxamide
CID 2117002
1-(4-Chlorophenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylethanone
CID 2341267
N-[(2-chlorophenyl)methyl]-2-methylsulfanylpyridine-3-carboxamide
CID 2537444
N-[2-[(2,4-dichlorobenzoyl)amino]ethyl]pyridine-2-carboxamide
CID 2991064
2-(2,4-dichlorophenyl)-N-(pyridin-3-ylmethyl)acetamide
CID 16250036
N-(4-chlorophenyl)-2-(pyridin-4-ylmethylsulfanyl)benzamide
CID 10450827
3-chloro-N-(2-(2-(pyridin-3-yl)thiazol-4-yl)ethyl)benzamide
CID 7119147
N-[2-(2,4-Dichlorophenyl)ethyl]-3-pyridinecarboxamide
CID 17472910
2-(2,6-Dichloro-benzylsulfanyl)-N-pyridin-3-ylmethyl-acetamide
CID 848358

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-(2-pyridin-2-ylsulfanylethyl)benzamide?
The IUPAC name of 2,4-dichloro-N-(2-pyridin-2-ylsulfanylethyl)benzamide (CID 2284724) is 2,4-dichloro-N-(2-pyridin-2-ylsulfanylethyl)benzamide.
What is the SMILES notation for 2,4-dichloro-N-(2-pyridin-2-ylsulfanylethyl)benzamide?
The canonical SMILES for 2,4-dichloro-N-(2-pyridin-2-ylsulfanylethyl)benzamide is O=C(NCCSc1ccccn1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-(2-pyridin-2-ylsulfanylethyl)benzamide?
The InChIKey is XRYNGYFVBDYCOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2OS/c15-10-4-5-11(12(16)9-10)14(19)18-7-8-20-13-3-1-2-6-17-13/h1-6,9H,7-8H2,(H,18,19).
What are the key properties of 2,4-dichloro-N-(2-pyridin-2-ylsulfanylethyl)benzamide?
2,4-dichloro-N-(2-pyridin-2-ylsulfanylethyl)benzamide has a molecular weight of 327.24 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-(2-pyridin-2-ylsulfanylethyl)benzamide is sourced from PubChem (CID 2284724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).