1-(2-chlorophenyl)sulfanyl-3-pyridin-4-ylpropan-2-one

C14H12ClNOS — CID 66141536

IUPAC1-(2-chlorophenyl)sulfanyl-3-pyridin-4-ylpropan-2-one
SMILESO=C(CSc1ccccc1Cl)Cc1ccncc1
InChIInChI=1S/C14H12ClNOS/c15-13-3-1-2-4-14(13)18-10-12(17)9-11-5-7-16-8-6-11/h1-8H,9-10H2
InChIKeyAARJZDKYAVCOTB-UHFFFAOYSA-N
MW277.78 g/mol
LogP3.64
Rot. Bonds5

About 1-(2-chlorophenyl)sulfanyl-3-pyridin-4-ylpropan-2-one

1-(2-chlorophenyl)sulfanyl-3-pyridin-4-ylpropan-2-one (PubChem CID 66141536) has the molecular formula C14H12ClNOS and a molecular weight of 277.78 g/mol. Its IUPAC name is 1-(2-chlorophenyl)sulfanyl-3-pyridin-4-ylpropan-2-one.

Molecular Properties

Compound Name1-(2-chlorophenyl)sulfanyl-3-pyridin-4-ylpropan-2-one
PubChem CID66141536
Molecular FormulaC14H12ClNOS
Molecular Weight277.78 g/mol
Exact Mass277.03
IUPAC Name1-(2-chlorophenyl)sulfanyl-3-pyridin-4-ylpropan-2-one
SMILESO=C(CSc1ccccc1Cl)Cc1ccncc1
InChIInChI=1S/C14H12ClNOS/c15-13-3-1-2-4-14(13)18-10-12(17)9-11-5-7-16-8-6-11/h1-8H,9-10H2
InChIKeyAARJZDKYAVCOTB-UHFFFAOYSA-N
XLogP3.64
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.78
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-3-(2-chlorophenyl)sulfanylpropan-2-one
CID 66140332
1-(3-chloro-4-fluorophenyl)-3-(2-chlorophenyl)sulfanylpropan-2-one
CID 103039415
1-(2-chlorophenyl)sulfanyl-3-(2,3-dihydro-1H-inden-5-yl)propan-2-one
CID 66142351
1-(2-chloro-5-fluorophenyl)-3-(2-chlorophenyl)sulfanylpropan-2-one
CID 102617723
1-(2-chlorophenyl)sulfanyl-3-methoxypropan-2-one
CID 79566355
1-(2-chlorophenyl)sulfanyl-4-methylpent-4-en-2-one
CID 79177144
1-(2-chlorophenyl)sulfanyl-3-(2-ethyl-1,2,4-triazol-3-yl)propan-2-one
CID 66141331
2-(2-chlorophenyl)sulfanyl-1-(4-methyl-3-pyridinyl)ethanone
CID 66271398
1-(2-chlorophenyl)sulfanyl-5,5-dimethylhexan-2-one
CID 66140142
1-(2-chlorophenyl)sulfanylheptan-2-one
CID 66139360
1-(2-bromo-4-fluorophenyl)-3-(2-chlorophenyl)sulfanylpropan-2-one
CID 66142357
1-(2-fluorophenyl)sulfanyl-3-pyridin-3-ylpropan-2-one
CID 113446890

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)sulfanyl-3-pyridin-4-ylpropan-2-one?
The IUPAC name of 1-(2-chlorophenyl)sulfanyl-3-pyridin-4-ylpropan-2-one (CID 66141536) is 1-(2-chlorophenyl)sulfanyl-3-pyridin-4-ylpropan-2-one.
What is the SMILES notation for 1-(2-chlorophenyl)sulfanyl-3-pyridin-4-ylpropan-2-one?
The canonical SMILES for 1-(2-chlorophenyl)sulfanyl-3-pyridin-4-ylpropan-2-one is O=C(CSc1ccccc1Cl)Cc1ccncc1.
What is the InChIKey of 1-(2-chlorophenyl)sulfanyl-3-pyridin-4-ylpropan-2-one?
The InChIKey is AARJZDKYAVCOTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNOS/c15-13-3-1-2-4-14(13)18-10-12(17)9-11-5-7-16-8-6-11/h1-8H,9-10H2.
What are the key properties of 1-(2-chlorophenyl)sulfanyl-3-pyridin-4-ylpropan-2-one?
1-(2-chlorophenyl)sulfanyl-3-pyridin-4-ylpropan-2-one has a molecular weight of 277.78 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)sulfanyl-3-pyridin-4-ylpropan-2-one is sourced from PubChem (CID 66141536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).