3-[1-(3-chlorophenyl)ethenyl]-2-(1-phenylethylsulfanyl)pyridine

C21H18ClNS — CID 101472817

IUPAC3-[1-(3-chlorophenyl)ethenyl]-2-(1-phenylethylsulfanyl)pyridine
SMILESC=C(c1cccc(Cl)c1)c1cccnc1SC(C)c1ccccc1
InChIInChI=1S/C21H18ClNS/c1-15(18-10-6-11-19(22)14-18)20-12-7-13-23-21(20)24-16(2)17-8-4-3-5-9-17/h3-14,16H,1H2,2H3
InChIKeyYPERDGNDTCWUCP-UHFFFAOYSA-N
MW351.90 g/mol
LogP6.65
Rot. Bonds5

About 3-[1-(3-chlorophenyl)ethenyl]-2-(1-phenylethylsulfanyl)pyridine

3-[1-(3-chlorophenyl)ethenyl]-2-(1-phenylethylsulfanyl)pyridine (PubChem CID 101472817) has the molecular formula C21H18ClNS and a molecular weight of 351.90 g/mol. Its IUPAC name is 3-[1-(3-chlorophenyl)ethenyl]-2-(1-phenylethylsulfanyl)pyridine.

Molecular Properties

Compound Name3-[1-(3-chlorophenyl)ethenyl]-2-(1-phenylethylsulfanyl)pyridine
PubChem CID101472817
Molecular FormulaC21H18ClNS
Molecular Weight351.90 g/mol
Exact Mass351.08
IUPAC Name3-[1-(3-chlorophenyl)ethenyl]-2-(1-phenylethylsulfanyl)pyridine
SMILESC=C(c1cccc(Cl)c1)c1cccnc1SC(C)c1ccccc1
InChIInChI=1S/C21H18ClNS/c1-15(18-10-6-11-19(22)14-18)20-12-7-13-23-21(20)24-16(2)17-8-4-3-5-9-17/h3-14,16H,1H2,2H3
InChIKeyYPERDGNDTCWUCP-UHFFFAOYSA-N
XLogP6.65
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.90
LogP ≤ 56.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-methylphenyl)-[2-(1-phenylethylsulfanyl)-3-pyridinyl]methanone
CID 101472808
N-(3-chlorophenyl)-2-(1-pyridin-4-ylethylsulfanyl)pyridine-3-carboxamide
CID 23093892
1-chloro-3-[1-(3-chlorophenyl)ethenyl]benzene
CID 10243768
2-[(R)-(4-chlorophenyl)-phenylmethyl]sulfanylpyridine-3-carboxamide
CID 39997996
[2-(1-aminoethylsulfanyl)-3-pyridinyl]-phenylmethanone
CID 70435745
2-chloro-N-[(1R)-1-(3-chlorophenyl)ethyl]pyridine-3-carboxamide
CID 26908020
4-chloro-2-(1-phenylethylsulfanyl)aniline
CID 79528407
1-(3-chlorophenyl)-5-[(1R)-1-phenylethyl]sulfanyltetrazole
CID 8859984
2-[1-(3-chlorophenyl)ethylamino]pyridine-3-carboxylic acid
CID 60655016
4-(3-chlorophenyl)-3-[(1S)-1-phenylethyl]sulfanyl-1,2,4-triazole
CID 25357022
2-[1-(3-chloroanilino)-1-oxobutan-2-yl]sulfanylpyridine-3-carboxylic acid
CID 4136540
methyl 2-(4-chlorophenyl)-N-[1-(3-chlorophenyl)ethenyl]pyridine-3-carboximidate
CID 143793978

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-chlorophenyl)ethenyl]-2-(1-phenylethylsulfanyl)pyridine?
The IUPAC name of 3-[1-(3-chlorophenyl)ethenyl]-2-(1-phenylethylsulfanyl)pyridine (CID 101472817) is 3-[1-(3-chlorophenyl)ethenyl]-2-(1-phenylethylsulfanyl)pyridine.
What is the SMILES notation for 3-[1-(3-chlorophenyl)ethenyl]-2-(1-phenylethylsulfanyl)pyridine?
The canonical SMILES for 3-[1-(3-chlorophenyl)ethenyl]-2-(1-phenylethylsulfanyl)pyridine is C=C(c1cccc(Cl)c1)c1cccnc1SC(C)c1ccccc1.
What is the InChIKey of 3-[1-(3-chlorophenyl)ethenyl]-2-(1-phenylethylsulfanyl)pyridine?
The InChIKey is YPERDGNDTCWUCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClNS/c1-15(18-10-6-11-19(22)14-18)20-12-7-13-23-21(20)24-16(2)17-8-4-3-5-9-17/h3-14,16H,1H2,2H3.
What are the key properties of 3-[1-(3-chlorophenyl)ethenyl]-2-(1-phenylethylsulfanyl)pyridine?
3-[1-(3-chlorophenyl)ethenyl]-2-(1-phenylethylsulfanyl)pyridine has a molecular weight of 351.90 g/mol, XLogP of 6.65, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-chlorophenyl)ethenyl]-2-(1-phenylethylsulfanyl)pyridine is sourced from PubChem (CID 101472817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).