2-(2,5-dichlorophenyl)sulfonyl-1-thiophen-2-ylethanone

C12H8Cl2O3S2 — CID 64643112

IUPAC2-(2,5-dichlorophenyl)sulfonyl-1-thiophen-2-ylethanone
SMILESO=C(CS(=O)(=O)c1cc(Cl)ccc1Cl)c1cccs1
InChIInChI=1S/C12H8Cl2O3S2/c13-8-3-4-9(14)12(6-8)19(16,17)7-10(15)11-2-1-5-18-11/h1-6H,7H2
InChIKeyHIUALFHNOJURGC-UHFFFAOYSA-N
MW335.23 g/mol
LogP3.71
Rot. Bonds4

About 2-(2,5-dichlorophenyl)sulfonyl-1-thiophen-2-ylethanone

2-(2,5-dichlorophenyl)sulfonyl-1-thiophen-2-ylethanone (PubChem CID 64643112) has the molecular formula C12H8Cl2O3S2 and a molecular weight of 335.23 g/mol. Its IUPAC name is 2-(2,5-dichlorophenyl)sulfonyl-1-thiophen-2-ylethanone.

Molecular Properties

Compound Name2-(2,5-dichlorophenyl)sulfonyl-1-thiophen-2-ylethanone
PubChem CID64643112
Molecular FormulaC12H8Cl2O3S2
Molecular Weight335.23 g/mol
Exact Mass333.93
IUPAC Name2-(2,5-dichlorophenyl)sulfonyl-1-thiophen-2-ylethanone
SMILESO=C(CS(=O)(=O)c1cc(Cl)ccc1Cl)c1cccs1
InChIInChI=1S/C12H8Cl2O3S2/c13-8-3-4-9(14)12(6-8)19(16,17)7-10(15)11-2-1-5-18-11/h1-6H,7H2
InChIKeyHIUALFHNOJURGC-UHFFFAOYSA-N
XLogP3.71
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.23
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,5-dichlorophenyl)sulfonyl-1-thiophen-2-ylbutan-1-one
CID 64643110
2-(2,5-dichlorophenyl)sulfonylacetamide
CID 13344609
2-(2,4-dichlorophenoxy)-1-thiophen-2-ylethanone
CID 60625907
1-(2,4-dichlorophenyl)-4-thiophen-2-ylbutane-1,4-dione
CID 126060994
2-methylsulfonyl-1-thiophen-2-ylethanone
CID 4253076
4-(2,5-dichlorophenyl)sulfinyl-1-thiophen-2-ylbutan-1-one
CID 64637636
2-chloro-N-(2-oxo-2-thiophen-2-ylethyl)benzenesulfonamide
CID 75508948
2-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-thiophen-2-ylethanone
CID 64642953
2-(3-aminopropylsulfonyl)-1-thiophen-2-ylethanone
CID 82180145
2,5-dichloro-N-[2-(thiophene-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzenesulfonamide
CID 16944088
(2R)-1-[2-(2,5-dichlorophenyl)sulfonylethyl]-2-thiophen-2-ylpyrrolidine
CID 9446271
2-(3-chlorophenoxy)-1-thiophen-2-ylethanone
CID 60625787

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenyl)sulfonyl-1-thiophen-2-ylethanone?
The IUPAC name of 2-(2,5-dichlorophenyl)sulfonyl-1-thiophen-2-ylethanone (CID 64643112) is 2-(2,5-dichlorophenyl)sulfonyl-1-thiophen-2-ylethanone.
What is the SMILES notation for 2-(2,5-dichlorophenyl)sulfonyl-1-thiophen-2-ylethanone?
The canonical SMILES for 2-(2,5-dichlorophenyl)sulfonyl-1-thiophen-2-ylethanone is O=C(CS(=O)(=O)c1cc(Cl)ccc1Cl)c1cccs1.
What is the InChIKey of 2-(2,5-dichlorophenyl)sulfonyl-1-thiophen-2-ylethanone?
The InChIKey is HIUALFHNOJURGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2O3S2/c13-8-3-4-9(14)12(6-8)19(16,17)7-10(15)11-2-1-5-18-11/h1-6H,7H2.
What are the key properties of 2-(2,5-dichlorophenyl)sulfonyl-1-thiophen-2-ylethanone?
2-(2,5-dichlorophenyl)sulfonyl-1-thiophen-2-ylethanone has a molecular weight of 335.23 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenyl)sulfonyl-1-thiophen-2-ylethanone is sourced from PubChem (CID 64643112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).