2-(3-chlorophenyl)dibenzothiophene 5,5-dioxide

C18H11ClO2S — CID 169131798

IUPAC2-(3-chlorophenyl)dibenzothiophene 5,5-dioxide
SMILESO=S1(=O)c2ccccc2-c2cc(-c3cccc(Cl)c3)ccc21
InChIInChI=1S/C18H11ClO2S/c19-14-5-3-4-12(10-14)13-8-9-18-16(11-13)15-6-1-2-7-17(15)22(18,20)21/h1-11H
InChIKeyUMUCHEHQAGEDJV-UHFFFAOYSA-N
MW326.80 g/mol
LogP4.82
Rot. Bonds1

About 2-(3-chlorophenyl)dibenzothiophene 5,5-dioxide

2-(3-chlorophenyl)dibenzothiophene 5,5-dioxide (PubChem CID 169131798) has the molecular formula C18H11ClO2S and a molecular weight of 326.80 g/mol. Its IUPAC name is 2-(3-chlorophenyl)dibenzothiophene 5,5-dioxide.

Molecular Properties

Compound Name2-(3-chlorophenyl)dibenzothiophene 5,5-dioxide
PubChem CID169131798
Molecular FormulaC18H11ClO2S
Molecular Weight326.80 g/mol
Exact Mass326.02
IUPAC Name2-(3-chlorophenyl)dibenzothiophene 5,5-dioxide
SMILESO=S1(=O)c2ccccc2-c2cc(-c3cccc(Cl)c3)ccc21
InChIInChI=1S/C18H11ClO2S/c19-14-5-3-4-12(10-14)13-8-9-18-16(11-13)15-6-1-2-7-17(15)22(18,20)21/h1-11H
InChIKeyUMUCHEHQAGEDJV-UHFFFAOYSA-N
XLogP4.82
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.80
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)dibenzothiophene 5,5-dioxide
CID 148523872
2-(4-chlorophenyl)-5,5-dimethyldibenzothiophene
CID 166898686
1-chloro-3-(2-phenylphenyl)benzene
CID 69293962
2-bromodibenzothiophene 5,5-dioxide
CID 554821
2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]dibenzothiophene 5,5-dioxide
CID 169131621
4-[4,6-bis[3-(4-fluorophenyl)phenyl]-1,3,5-triazin-2-yl]-26λ6-thiahexacyclo[25.4.0.02,7.08,13.014,19.020,25]hentriaconta-1(31),2(7),3,5,8,10,12,14,16,18,20,22,24,27,29-pentadecaene 26,26-dioxide
CID 134572110
8-(4-phenylphenyl)-1-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]dibenzothiophene 5,5-dioxide
CID 169131680
5-(4-phenylphenyl)-8λ6-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene 8,8-dioxide
CID 122485077
2-[4-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,8-diphenylthieno[2,3-f][1]benzothiol-6-yl]phenyl]dibenzothiophene 5,5-dioxide
CID 134595238
1-chloro-3-[2-[2-(3-chlorophenyl)phenyl]sulfanylphenyl]benzene
CID 54176640
2-chloro-1,3-bis(3-chlorophenyl)benzene
CID 54080795
[2-(5,5-dioxodibenzothiophen-2-yl)-4-pyridinyl]-trimethylsilane
CID 140719581

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)dibenzothiophene 5,5-dioxide?
The IUPAC name of 2-(3-chlorophenyl)dibenzothiophene 5,5-dioxide (CID 169131798) is 2-(3-chlorophenyl)dibenzothiophene 5,5-dioxide.
What is the SMILES notation for 2-(3-chlorophenyl)dibenzothiophene 5,5-dioxide?
The canonical SMILES for 2-(3-chlorophenyl)dibenzothiophene 5,5-dioxide is O=S1(=O)c2ccccc2-c2cc(-c3cccc(Cl)c3)ccc21.
What is the InChIKey of 2-(3-chlorophenyl)dibenzothiophene 5,5-dioxide?
The InChIKey is UMUCHEHQAGEDJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClO2S/c19-14-5-3-4-12(10-14)13-8-9-18-16(11-13)15-6-1-2-7-17(15)22(18,20)21/h1-11H.
What are the key properties of 2-(3-chlorophenyl)dibenzothiophene 5,5-dioxide?
2-(3-chlorophenyl)dibenzothiophene 5,5-dioxide has a molecular weight of 326.80 g/mol, XLogP of 4.82, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)dibenzothiophene 5,5-dioxide is sourced from PubChem (CID 169131798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).