2-(2,5-dichlorophenyl)sulfinyl-1-(furan-2-yl)ethanone

C12H8Cl2O3S — CID 64636306

IUPAC2-(2,5-dichlorophenyl)sulfinyl-1-(furan-2-yl)ethanone
SMILESO=C(CS(=O)c1cc(Cl)ccc1Cl)c1ccco1
InChIInChI=1S/C12H8Cl2O3S/c13-8-3-4-9(14)12(6-8)18(16)7-10(15)11-2-1-5-17-11/h1-6H,7H2
InChIKeyAAHMONRADYLULM-UHFFFAOYSA-N
MW303.17 g/mol
LogP3.58
Rot. Bonds4

About 2-(2,5-dichlorophenyl)sulfinyl-1-(furan-2-yl)ethanone

2-(2,5-dichlorophenyl)sulfinyl-1-(furan-2-yl)ethanone (PubChem CID 64636306) has the molecular formula C12H8Cl2O3S and a molecular weight of 303.17 g/mol. Its IUPAC name is 2-(2,5-dichlorophenyl)sulfinyl-1-(furan-2-yl)ethanone.

Molecular Properties

Compound Name2-(2,5-dichlorophenyl)sulfinyl-1-(furan-2-yl)ethanone
PubChem CID64636306
Molecular FormulaC12H8Cl2O3S
Molecular Weight303.17 g/mol
Exact Mass301.96
IUPAC Name2-(2,5-dichlorophenyl)sulfinyl-1-(furan-2-yl)ethanone
SMILESO=C(CS(=O)c1cc(Cl)ccc1Cl)c1ccco1
InChIInChI=1S/C12H8Cl2O3S/c13-8-3-4-9(14)12(6-8)18(16)7-10(15)11-2-1-5-17-11/h1-6H,7H2
InChIKeyAAHMONRADYLULM-UHFFFAOYSA-N
XLogP3.58
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.17
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-chloro-2-fluorophenyl)-1-(furan-2-yl)ethanone
CID 103047974
1-(furan-2-yl)-2-(2-methylphenyl)sulfinylethanone
CID 64639348
2-(4-chlorophenyl)-1-(furan-2-yl)ethanone
CID 11096153
2-(2,5-dichlorophenyl)sulfinyl-1-(4-ethylphenyl)ethanone
CID 64635380
2-[(3-chlorophenyl)methoxy]-1-(furan-2-yl)ethanone
CID 65126472
1-cyclohexyl-2-(2,5-dichlorophenyl)sulfinylethanone
CID 104756236
3-(4-chlorophenyl)-1-(furan-2-yl)propan-1-one
CID 175418899
2-(5-chloroindol-1-yl)-1-(furan-2-yl)ethanone
CID 63877831
2-(2-chlorophenyl)-1-(furan-2-yl)ethanone
CID 61055441
(2,4-dichlorophenyl) furan-2-carboxylate
CID 3880755
1-(2,4-dichlorophenyl)-2-(2,6-dichlorophenyl)sulfinylethanone
CID 115477694
N-(2,4-dichlorophenyl)furan-2-carboxamide
CID 3105425

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenyl)sulfinyl-1-(furan-2-yl)ethanone?
The IUPAC name of 2-(2,5-dichlorophenyl)sulfinyl-1-(furan-2-yl)ethanone (CID 64636306) is 2-(2,5-dichlorophenyl)sulfinyl-1-(furan-2-yl)ethanone.
What is the SMILES notation for 2-(2,5-dichlorophenyl)sulfinyl-1-(furan-2-yl)ethanone?
The canonical SMILES for 2-(2,5-dichlorophenyl)sulfinyl-1-(furan-2-yl)ethanone is O=C(CS(=O)c1cc(Cl)ccc1Cl)c1ccco1.
What is the InChIKey of 2-(2,5-dichlorophenyl)sulfinyl-1-(furan-2-yl)ethanone?
The InChIKey is AAHMONRADYLULM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2O3S/c13-8-3-4-9(14)12(6-8)18(16)7-10(15)11-2-1-5-17-11/h1-6H,7H2.
What are the key properties of 2-(2,5-dichlorophenyl)sulfinyl-1-(furan-2-yl)ethanone?
2-(2,5-dichlorophenyl)sulfinyl-1-(furan-2-yl)ethanone has a molecular weight of 303.17 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenyl)sulfinyl-1-(furan-2-yl)ethanone is sourced from PubChem (CID 64636306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).