2-(3-chlorophenyl)sulfanyl-1-(3-methoxyphenyl)ethanone

C15H13ClO2S — CID 55101851

IUPAC2-(3-chlorophenyl)sulfanyl-1-(3-methoxyphenyl)ethanone
SMILESCOc1cccc(C(=O)CSc2cccc(Cl)c2)c1
InChIInChI=1S/C15H13ClO2S/c1-18-13-6-2-4-11(8-13)15(17)10-19-14-7-3-5-12(16)9-14/h2-9H,10H2,1H3
InChIKeyGRIYVQMSWOBOFN-UHFFFAOYSA-N
MW292.79 g/mol
LogP4.32
Rot. Bonds5

About 2-(3-chlorophenyl)sulfanyl-1-(3-methoxyphenyl)ethanone

2-(3-chlorophenyl)sulfanyl-1-(3-methoxyphenyl)ethanone (PubChem CID 55101851) has the molecular formula C15H13ClO2S and a molecular weight of 292.79 g/mol. Its IUPAC name is 2-(3-chlorophenyl)sulfanyl-1-(3-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(3-chlorophenyl)sulfanyl-1-(3-methoxyphenyl)ethanone
PubChem CID55101851
Molecular FormulaC15H13ClO2S
Molecular Weight292.79 g/mol
Exact Mass292.03
IUPAC Name2-(3-chlorophenyl)sulfanyl-1-(3-methoxyphenyl)ethanone
SMILESCOc1cccc(C(=O)CSc2cccc(Cl)c2)c1
InChIInChI=1S/C15H13ClO2S/c1-18-13-6-2-4-11(8-13)15(17)10-19-14-7-3-5-12(16)9-14/h2-9H,10H2,1H3
InChIKeyGRIYVQMSWOBOFN-UHFFFAOYSA-N
XLogP4.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.79
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorophenyl)-2-naphthalen-2-ylsulfanylethanone
CID 43411868
2,6-dimethoxy-N-[3-[2-(3-methoxyphenyl)-2-oxoethyl]sulfanylphenyl]benzamide
CID 19299834
2,3,4,5-tetrachloro-6-[[3-[2-(3-methoxyphenyl)-2-oxoethyl]sulfanylphenyl]carbamoyl]benzoic acid
CID 18894783
1-(4-ethylphenyl)-2-(3-methoxyphenyl)sulfanylethanone
CID 43426414
N-[3-[2-(3-methoxyphenyl)-2-oxoethyl]sulfanylphenyl]cyclopropanecarboxamide
CID 19299420
N-[3-[2-(3-methoxyphenyl)-2-oxoethyl]sulfanylphenyl]-2-phenoxyacetamide
CID 19299690
(E)-4-[3-[2-(3-methoxyphenyl)-2-oxoethyl]sulfanylanilino]-4-oxobut-2-enoic acid
CID 18894837
N-[(Z)-1-(3-chlorophenyl)-3-[4-[2-(3-methoxyphenyl)-2-oxoethyl]sulfanylanilino]-3-oxoprop-1-en-2-yl]benzamide
CID 22783238
1-(3-methoxyphenyl)-2-(2-methylphenyl)sulfanylethanone
CID 51889923
(E)-N-[3-[2-(3-methoxyphenyl)-2-oxoethyl]sulfanylphenyl]-3-phenylprop-2-enamide
CID 19299456
1-(3-fluorophenyl)-2-(4-methoxyphenyl)sulfanylethanone
CID 43226534
2-(3-chlorophenyl)sulfanyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone
CID 62779685

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)sulfanyl-1-(3-methoxyphenyl)ethanone?
The IUPAC name of 2-(3-chlorophenyl)sulfanyl-1-(3-methoxyphenyl)ethanone (CID 55101851) is 2-(3-chlorophenyl)sulfanyl-1-(3-methoxyphenyl)ethanone.
What is the SMILES notation for 2-(3-chlorophenyl)sulfanyl-1-(3-methoxyphenyl)ethanone?
The canonical SMILES for 2-(3-chlorophenyl)sulfanyl-1-(3-methoxyphenyl)ethanone is COc1cccc(C(=O)CSc2cccc(Cl)c2)c1.
What is the InChIKey of 2-(3-chlorophenyl)sulfanyl-1-(3-methoxyphenyl)ethanone?
The InChIKey is GRIYVQMSWOBOFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClO2S/c1-18-13-6-2-4-11(8-13)15(17)10-19-14-7-3-5-12(16)9-14/h2-9H,10H2,1H3.
What are the key properties of 2-(3-chlorophenyl)sulfanyl-1-(3-methoxyphenyl)ethanone?
2-(3-chlorophenyl)sulfanyl-1-(3-methoxyphenyl)ethanone has a molecular weight of 292.79 g/mol, XLogP of 4.32, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)sulfanyl-1-(3-methoxyphenyl)ethanone is sourced from PubChem (CID 55101851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).