2-(5-methyl-1-phenylpyrazol-4-yl)dibenzothiophene 5,5-dioxide

C22H16N2O2S — CID 157143404

IUPAC2-(5-methyl-1-phenylpyrazol-4-yl)dibenzothiophene 5,5-dioxide
SMILESCc1c(-c2ccc3c(c2)-c2ccccc2S3(=O)=O)cnn1-c1ccccc1
InChIInChI=1S/C22H16N2O2S/c1-15-20(14-23-24(15)17-7-3-2-4-8-17)16-11-12-22-19(13-16)18-9-5-6-10-21(18)27(22,25)26/h2-14H,1H3
InChIKeyWXQCWMRAIHCPBH-UHFFFAOYSA-N
MW372.45 g/mol
LogP4.66
Rot. Bonds2

About 2-(5-methyl-1-phenylpyrazol-4-yl)dibenzothiophene 5,5-dioxide

2-(5-methyl-1-phenylpyrazol-4-yl)dibenzothiophene 5,5-dioxide (PubChem CID 157143404) has the molecular formula C22H16N2O2S and a molecular weight of 372.45 g/mol. Its IUPAC name is 2-(5-methyl-1-phenylpyrazol-4-yl)dibenzothiophene 5,5-dioxide.

Molecular Properties

Compound Name2-(5-methyl-1-phenylpyrazol-4-yl)dibenzothiophene 5,5-dioxide
PubChem CID157143404
Molecular FormulaC22H16N2O2S
Molecular Weight372.45 g/mol
Exact Mass372.09
IUPAC Name2-(5-methyl-1-phenylpyrazol-4-yl)dibenzothiophene 5,5-dioxide
SMILESCc1c(-c2ccc3c(c2)-c2ccccc2S3(=O)=O)cnn1-c1ccccc1
InChIInChI=1S/C22H16N2O2S/c1-15-20(14-23-24(15)17-7-3-2-4-8-17)16-11-12-22-19(13-16)18-9-5-6-10-21(18)27(22,25)26/h2-14H,1H3
InChIKeyWXQCWMRAIHCPBH-UHFFFAOYSA-N
XLogP4.66
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-methyl-1-phenylpyrazol-4-yl)dibenzothiophene 5,5-dioxide;rhodium
CID 162463196
2-(difluoromethoxy)-4-(5-methyl-1-phenylpyrazol-4-yl)benzaldehyde
CID 177176021
2-(4-chlorophenyl)dibenzothiophene 5,5-dioxide
CID 148523872
6-(5-methyl-1-phenylpyrazol-4-yl)-8-phenylimidazo[1,2-a]pyridine
CID 58207977
2-[5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]dibenzothiophene 5,5-dioxide
CID 163613885
2-(3-chlorophenyl)dibenzothiophene 5,5-dioxide
CID 169131798
5-methyl-1-phenyl-4-(1H-pyrazol-5-yl)pyrazole
CID 614156
[6-(5,5-dioxodibenzothiophen-3-yl)-3-pyridinyl]-dimethyl-phenylsilane
CID 140720125
8-hydroxy-6-(5-methyl-1-phenylpyrazol-4-yl)-3H-quinazolin-4-one
CID 136608400
carbanide;dibenzothiophene 5,5-dioxide;ethane;tricosakis(yttrium)
CID 158868960
4-(2,6-diphenylpyrimidin-4-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 134572058
2,8-bis(2-carbazol-9-ylphenyl)dibenzothiophene 5,5-dioxide
CID 135252120

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1-phenylpyrazol-4-yl)dibenzothiophene 5,5-dioxide?
The IUPAC name of 2-(5-methyl-1-phenylpyrazol-4-yl)dibenzothiophene 5,5-dioxide (CID 157143404) is 2-(5-methyl-1-phenylpyrazol-4-yl)dibenzothiophene 5,5-dioxide.
What is the SMILES notation for 2-(5-methyl-1-phenylpyrazol-4-yl)dibenzothiophene 5,5-dioxide?
The canonical SMILES for 2-(5-methyl-1-phenylpyrazol-4-yl)dibenzothiophene 5,5-dioxide is Cc1c(-c2ccc3c(c2)-c2ccccc2S3(=O)=O)cnn1-c1ccccc1.
What is the InChIKey of 2-(5-methyl-1-phenylpyrazol-4-yl)dibenzothiophene 5,5-dioxide?
The InChIKey is WXQCWMRAIHCPBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O2S/c1-15-20(14-23-24(15)17-7-3-2-4-8-17)16-11-12-22-19(13-16)18-9-5-6-10-21(18)27(22,25)26/h2-14H,1H3.
What are the key properties of 2-(5-methyl-1-phenylpyrazol-4-yl)dibenzothiophene 5,5-dioxide?
2-(5-methyl-1-phenylpyrazol-4-yl)dibenzothiophene 5,5-dioxide has a molecular weight of 372.45 g/mol, XLogP of 4.66, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1-phenylpyrazol-4-yl)dibenzothiophene 5,5-dioxide is sourced from PubChem (CID 157143404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).