4-chloro-N-(3-pyridin-2-ylsulfanylpropyl)benzamide

C15H15ClN2OS — CID 22070190

IUPAC4-chloro-N-(3-pyridin-2-ylsulfanylpropyl)benzamide
SMILESO=C(NCCCSc1ccccn1)c1ccc(Cl)cc1
InChIInChI=1S/C15H15ClN2OS/c16-13-7-5-12(6-8-13)15(19)18-10-3-11-20-14-4-1-2-9-17-14/h1-2,4-9H,3,10-11H2,(H,18,19)
InChIKeyFYJCKPSXHZSIPO-UHFFFAOYSA-N
MW306.82 g/mol
LogP3.65
Rot. Bonds6

About 4-chloro-N-(3-pyridin-2-ylsulfanylpropyl)benzamide

4-chloro-N-(3-pyridin-2-ylsulfanylpropyl)benzamide (PubChem CID 22070190) has the molecular formula C15H15ClN2OS and a molecular weight of 306.82 g/mol. Its IUPAC name is 4-chloro-N-(3-pyridin-2-ylsulfanylpropyl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(3-pyridin-2-ylsulfanylpropyl)benzamide
PubChem CID22070190
Molecular FormulaC15H15ClN2OS
Molecular Weight306.82 g/mol
Exact Mass306.06
IUPAC Name4-chloro-N-(3-pyridin-2-ylsulfanylpropyl)benzamide
SMILESO=C(NCCCSc1ccccn1)c1ccc(Cl)cc1
InChIInChI=1S/C15H15ClN2OS/c16-13-7-5-12(6-8-13)15(19)18-10-3-11-20-14-4-1-2-9-17-14/h1-2,4-9H,3,10-11H2,(H,18,19)
InChIKeyFYJCKPSXHZSIPO-UHFFFAOYSA-N
XLogP3.65
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.82
LogP ≤ 53.65
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

N-(4-pyridin-2-ylsulfanylbutyl)benzamide
CID 67642549
2-hydroxy-N-(3-pyridin-2-ylsulfanylpropyl)benzamide
CID 19079171
6-[2-[(4-chlorobenzoyl)amino]ethylsulfanyl]-N-phenylpyridine-3-carboxamide
CID 50843835
4-chloro-N-[8-[(4-chlorobenzoyl)amino]octyl]benzamide
CID 3606775
4-chloro-N-(4-phenylbutyl)benzamide
CID 2057490
4-chloro-N-(2-pyridin-2-ylsulfanylethyl)aniline
CID 62577092
2-pyridin-2-ylsulfanylethylcarbamic acid
CID 22357478
[2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] 4-[(4-chlorobenzoyl)amino]butanoate
CID 27915905
2-chloro-N-[2-[(4-chlorobenzoyl)amino]ethyl]pyridine-3-carboxamide
CID 34990121
1-methyl-3-(3-pyridin-2-ylsulfanylpropyl)thiourea;hydrochloride
CID 21432758
N-(5-chloro-2-methylphenyl)-4-(pyridin-2-ylsulfanylmethyl)benzamide
CID 980324
3,4-dichloro-N-(3-pyridin-2-ylpropyl)benzamide
CID 110660973

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-pyridin-2-ylsulfanylpropyl)benzamide?
The IUPAC name of 4-chloro-N-(3-pyridin-2-ylsulfanylpropyl)benzamide (CID 22070190) is 4-chloro-N-(3-pyridin-2-ylsulfanylpropyl)benzamide.
What is the SMILES notation for 4-chloro-N-(3-pyridin-2-ylsulfanylpropyl)benzamide?
The canonical SMILES for 4-chloro-N-(3-pyridin-2-ylsulfanylpropyl)benzamide is O=C(NCCCSc1ccccn1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(3-pyridin-2-ylsulfanylpropyl)benzamide?
The InChIKey is FYJCKPSXHZSIPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2OS/c16-13-7-5-12(6-8-13)15(19)18-10-3-11-20-14-4-1-2-9-17-14/h1-2,4-9H,3,10-11H2,(H,18,19).
What are the key properties of 4-chloro-N-(3-pyridin-2-ylsulfanylpropyl)benzamide?
4-chloro-N-(3-pyridin-2-ylsulfanylpropyl)benzamide has a molecular weight of 306.82 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-pyridin-2-ylsulfanylpropyl)benzamide is sourced from PubChem (CID 22070190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).