4-chloro-N-(2-pyridin-2-ylsulfanylethyl)benzamide

C14H13ClN2OS — CID 3117810

IUPAC4-chloro-N-(2-pyridin-2-ylsulfanylethyl)benzamide
SMILESO=C(NCCSc1ccccn1)c1ccc(Cl)cc1
InChIInChI=1S/C14H13ClN2OS/c15-12-6-4-11(5-7-12)14(18)17-9-10-19-13-3-1-2-8-16-13/h1-8H,9-10H2,(H,17,18)
InChIKeyLSXXXQULCMQHAP-UHFFFAOYSA-N
MW292.79 g/mol
LogP3.26
Rot. Bonds5

About 4-chloro-N-(2-pyridin-2-ylsulfanylethyl)benzamide

4-chloro-N-(2-pyridin-2-ylsulfanylethyl)benzamide (PubChem CID 3117810) has the molecular formula C14H13ClN2OS and a molecular weight of 292.79 g/mol. Its IUPAC name is 4-chloro-N-(2-pyridin-2-ylsulfanylethyl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(2-pyridin-2-ylsulfanylethyl)benzamide
PubChem CID3117810
Molecular FormulaC14H13ClN2OS
Molecular Weight292.79 g/mol
Exact Mass292.04
IUPAC Name4-chloro-N-(2-pyridin-2-ylsulfanylethyl)benzamide
SMILESO=C(NCCSc1ccccn1)c1ccc(Cl)cc1
InChIInChI=1S/C14H13ClN2OS/c15-12-6-4-11(5-7-12)14(18)17-9-10-19-13-3-1-2-8-16-13/h1-8H,9-10H2,(H,17,18)
InChIKeyLSXXXQULCMQHAP-UHFFFAOYSA-N
XLogP3.26
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.79
LogP ≤ 53.26
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
N-[(4-chlorophenyl)methyl]pyridine-3-carboxamide
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CID 132257069
N-[2-(4-chlorophenyl)ethyl]pyridine-3-carboxamide
CID 571790
4-chloro-N-(pyridin-3-yl)benzamide
CID 706178
N3-(4-methylbenzyl)-2-[(3-chlorophenyl)thio]nicotinamide
CID 2799786
2-(methylthio)-N-(3-pyridinylmethyl)benzamide
CID 1243089
2-(methylsulfanyl)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 2088327
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
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N-(4-chlorophenyl)-2-(pyridin-4-ylmethylsulfanyl)benzamide
CID 10450827

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-pyridin-2-ylsulfanylethyl)benzamide?
The IUPAC name of 4-chloro-N-(2-pyridin-2-ylsulfanylethyl)benzamide (CID 3117810) is 4-chloro-N-(2-pyridin-2-ylsulfanylethyl)benzamide.
What is the SMILES notation for 4-chloro-N-(2-pyridin-2-ylsulfanylethyl)benzamide?
The canonical SMILES for 4-chloro-N-(2-pyridin-2-ylsulfanylethyl)benzamide is O=C(NCCSc1ccccn1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(2-pyridin-2-ylsulfanylethyl)benzamide?
The InChIKey is LSXXXQULCMQHAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2OS/c15-12-6-4-11(5-7-12)14(18)17-9-10-19-13-3-1-2-8-16-13/h1-8H,9-10H2,(H,17,18).
What are the key properties of 4-chloro-N-(2-pyridin-2-ylsulfanylethyl)benzamide?
4-chloro-N-(2-pyridin-2-ylsulfanylethyl)benzamide has a molecular weight of 292.79 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-pyridin-2-ylsulfanylethyl)benzamide is sourced from PubChem (CID 3117810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).