2-[(2,6-dichlorophenyl)methylsulfonyl]thiophene

C11H8Cl2O2S2 — CID 2819859

IUPAC2-[(2,6-dichlorophenyl)methylsulfonyl]thiophene
SMILESO=S(=O)(Cc1c(Cl)cccc1Cl)c1cccs1
InChIInChI=1S/C11H8Cl2O2S2/c12-9-3-1-4-10(13)8(9)7-17(14,15)11-5-2-6-16-11/h1-6H,7H2
InChIKeyIVESRAPFPUAKEL-UHFFFAOYSA-N
MW307.22 g/mol
LogP4.03
Rot. Bonds3

About 2-[(2,6-dichlorophenyl)methylsulfonyl]thiophene

2-[(2,6-dichlorophenyl)methylsulfonyl]thiophene (PubChem CID 2819859) has the molecular formula C11H8Cl2O2S2 and a molecular weight of 307.22 g/mol. Its IUPAC name is 2-[(2,6-dichlorophenyl)methylsulfonyl]thiophene.

Molecular Properties

Compound Name2-[(2,6-dichlorophenyl)methylsulfonyl]thiophene
PubChem CID2819859
Molecular FormulaC11H8Cl2O2S2
Molecular Weight307.22 g/mol
Exact Mass305.93
IUPAC Name2-[(2,6-dichlorophenyl)methylsulfonyl]thiophene
SMILESO=S(=O)(Cc1c(Cl)cccc1Cl)c1cccs1
InChIInChI=1S/C11H8Cl2O2S2/c12-9-3-1-4-10(13)8(9)7-17(14,15)11-5-2-6-16-11/h1-6H,7H2
InChIKeyIVESRAPFPUAKEL-UHFFFAOYSA-N
XLogP4.03
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.22
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(4-Chlorophenyl)methylsulfanyl]thiophene-2-sulfonamide
CID 132819875
2,4-Dichloro-1-[(4-chlorophenyl)sulfonylmethyl]benzene
CID 237765
5-Chloro-3-(thiophen-2-ylsulfanylmethyl)-1-benzothiophene 1,1-dioxide
CID 2822511
3-[(4-Chlorophenyl)sulfonyl]-4-methylthiophene
CID 2778686
2-(Benzhydrylsulfinylmethyl)-5-chlorothiophene
CID 137656786
3-(2,6-Dichlorophenyl)-2-thiophen-2-ylsulfonylprop-2-enenitrile
CID 2819619
1,3-Dichloro-2-[[(4-methylphenyl)sulfonyl]methyl]benzene
CID 2820536
Thiophene, 2-(2-chloro-6-fluorobenzylsulfonyl)-
CID 588737
2,5-Dichloro-3-[(4-chlorophenyl)sulfonylmethyl]thiophene
CID 2806079
2-[(2,6-Dichlorophenyl)methylsulfanyl]thiophene
CID 2819600
2-[(4-Chlorophenyl)methylsulfonyl]thiophene
CID 2819615
5-Chloro-4-(2,5-difluorophenyl)thiophene-2-sulfonyl chloride
CID 86689190

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dichlorophenyl)methylsulfonyl]thiophene?
The IUPAC name of 2-[(2,6-dichlorophenyl)methylsulfonyl]thiophene (CID 2819859) is 2-[(2,6-dichlorophenyl)methylsulfonyl]thiophene.
What is the SMILES notation for 2-[(2,6-dichlorophenyl)methylsulfonyl]thiophene?
The canonical SMILES for 2-[(2,6-dichlorophenyl)methylsulfonyl]thiophene is O=S(=O)(Cc1c(Cl)cccc1Cl)c1cccs1.
What is the InChIKey of 2-[(2,6-dichlorophenyl)methylsulfonyl]thiophene?
The InChIKey is IVESRAPFPUAKEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2O2S2/c12-9-3-1-4-10(13)8(9)7-17(14,15)11-5-2-6-16-11/h1-6H,7H2.
What are the key properties of 2-[(2,6-dichlorophenyl)methylsulfonyl]thiophene?
2-[(2,6-dichlorophenyl)methylsulfonyl]thiophene has a molecular weight of 307.22 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dichlorophenyl)methylsulfonyl]thiophene is sourced from PubChem (CID 2819859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).