1-(2,5-dichlorothiophen-3-yl)-2-(2,4-difluorophenyl)sulfinylethanone

C12H6Cl2F2O2S2 — CID 64640302

IUPAC1-(2,5-dichlorothiophen-3-yl)-2-(2,4-difluorophenyl)sulfinylethanone
SMILESO=C(CS(=O)c1ccc(F)cc1F)c1cc(Cl)sc1Cl
InChIInChI=1S/C12H6Cl2F2O2S2/c13-11-4-7(12(14)19-11)9(17)5-20(18)10-2-1-6(15)3-8(10)16/h1-4H,5H2
InChIKeySJRBHHZTZOFVGP-UHFFFAOYSA-N
MW355.21 g/mol
LogP4.32
Rot. Bonds4

About 1-(2,5-dichlorothiophen-3-yl)-2-(2,4-difluorophenyl)sulfinylethanone

1-(2,5-dichlorothiophen-3-yl)-2-(2,4-difluorophenyl)sulfinylethanone (PubChem CID 64640302) has the molecular formula C12H6Cl2F2O2S2 and a molecular weight of 355.21 g/mol. Its IUPAC name is 1-(2,5-dichlorothiophen-3-yl)-2-(2,4-difluorophenyl)sulfinylethanone.

Molecular Properties

Compound Name1-(2,5-dichlorothiophen-3-yl)-2-(2,4-difluorophenyl)sulfinylethanone
PubChem CID64640302
Molecular FormulaC12H6Cl2F2O2S2
Molecular Weight355.21 g/mol
Exact Mass353.92
IUPAC Name1-(2,5-dichlorothiophen-3-yl)-2-(2,4-difluorophenyl)sulfinylethanone
SMILESO=C(CS(=O)c1ccc(F)cc1F)c1cc(Cl)sc1Cl
InChIInChI=1S/C12H6Cl2F2O2S2/c13-11-4-7(12(14)19-11)9(17)5-20(18)10-2-1-6(15)3-8(10)16/h1-4H,5H2
InChIKeySJRBHHZTZOFVGP-UHFFFAOYSA-N
XLogP4.32
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.21
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-difluorophenyl)sulfinylpropan-2-one
CID 64641314
2-(benzenesulfinyl)-1-(2,5-dichlorothiophen-3-yl)ethanone
CID 64635343
1-(2,5-dichlorophenyl)-2-(2,5-difluorophenyl)sulfinylethanone
CID 64641141
1-(2,4-difluorophenyl)sulfinyl-3-phenylpropan-2-one
CID 64639503
(2-chloro-4-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methanone
CID 43344763
2-(3-chloro-4-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)ethanone
CID 107967879
2,5-dichloro-N-(2,5-difluorophenyl)thiophene-3-carboxamide
CID 51191647
N-(3-aminopropyl)-2-(2,4-difluorophenyl)sulfinyl-N-methylacetamide
CID 81329251
2-(2,5-difluorophenyl)sulfinyl-1-(2-methoxyphenyl)ethanone
CID 64638325
1-(2,4-difluorophenyl)-2-thiophen-2-ylsulfinylethanone
CID 64639086
N-(2-bromo-5-fluorophenyl)-2,5-dichlorothiophene-3-carboxamide
CID 113255459
1-(2,5-difluorophenyl)-2-(2-methylphenyl)sulfinylethanone
CID 64638732

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorothiophen-3-yl)-2-(2,4-difluorophenyl)sulfinylethanone?
The IUPAC name of 1-(2,5-dichlorothiophen-3-yl)-2-(2,4-difluorophenyl)sulfinylethanone (CID 64640302) is 1-(2,5-dichlorothiophen-3-yl)-2-(2,4-difluorophenyl)sulfinylethanone.
What is the SMILES notation for 1-(2,5-dichlorothiophen-3-yl)-2-(2,4-difluorophenyl)sulfinylethanone?
The canonical SMILES for 1-(2,5-dichlorothiophen-3-yl)-2-(2,4-difluorophenyl)sulfinylethanone is O=C(CS(=O)c1ccc(F)cc1F)c1cc(Cl)sc1Cl.
What is the InChIKey of 1-(2,5-dichlorothiophen-3-yl)-2-(2,4-difluorophenyl)sulfinylethanone?
The InChIKey is SJRBHHZTZOFVGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl2F2O2S2/c13-11-4-7(12(14)19-11)9(17)5-20(18)10-2-1-6(15)3-8(10)16/h1-4H,5H2.
What are the key properties of 1-(2,5-dichlorothiophen-3-yl)-2-(2,4-difluorophenyl)sulfinylethanone?
1-(2,5-dichlorothiophen-3-yl)-2-(2,4-difluorophenyl)sulfinylethanone has a molecular weight of 355.21 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorothiophen-3-yl)-2-(2,4-difluorophenyl)sulfinylethanone is sourced from PubChem (CID 64640302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).