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

C22H15N2O2RhS- — CID 162463196

IUPAC2-(5-methyl-1-phenylpyrazol-4-yl)dibenzothiophene 5,5-dioxide;rhodium
SMILESCc1c(-c2ccc3c(c2)-c2ccccc2S3(=O)=O)cnn1-c1[c-]cccc1.[Rh]
InChIInChI=1S/C22H15N2O2S.Rh/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;/h2-7,9-14H,1H3;/q-1;
InChIKeyOUJQBTHUAYEZCS-UHFFFAOYSA-N
MW474.35 g/mol
LogP4.46
Rot. Bonds2

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

2-(5-methyl-1-phenylpyrazol-4-yl)dibenzothiophene 5,5-dioxide;rhodium (PubChem CID 162463196) has the molecular formula C22H15N2O2RhS- and a molecular weight of 474.35 g/mol. Its IUPAC name is 2-(5-methyl-1-phenylpyrazol-4-yl)dibenzothiophene 5,5-dioxide;rhodium.

Molecular Properties

Compound Name2-(5-methyl-1-phenylpyrazol-4-yl)dibenzothiophene 5,5-dioxide;rhodium
PubChem CID162463196
Molecular FormulaC22H15N2O2RhS-
Molecular Weight474.35 g/mol
Exact Mass473.99
IUPAC Name2-(5-methyl-1-phenylpyrazol-4-yl)dibenzothiophene 5,5-dioxide;rhodium
SMILESCc1c(-c2ccc3c(c2)-c2ccccc2S3(=O)=O)cnn1-c1[c-]cccc1.[Rh]
InChIInChI=1S/C22H15N2O2S.Rh/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;/h2-7,9-14H,1H3;/q-1;
InChIKeyOUJQBTHUAYEZCS-UHFFFAOYSA-N
XLogP4.46
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.35
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

2-(5-methyl-1-phenylpyrazol-4-yl)dibenzothiophene 5,5-dioxide
CID 157143404
2-(4-chlorophenyl)dibenzothiophene 5,5-dioxide
CID 148523872
2-(3-chlorophenyl)dibenzothiophene 5,5-dioxide
CID 169131798
2,8-bis(2-carbazol-9-ylphenyl)dibenzothiophene 5,5-dioxide
CID 135252120
CID 162463176
CID 162463176
[2-(5,5-dioxodibenzothiophen-2-yl)-4-pyridinyl]-trimethylsilane
CID 140719581
2-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)dibenzothiophene 5,5-dioxide
CID 163540814
carbanide;dibenzothiophene 5,5-dioxide;ethane;tricosakis(yttrium)
CID 158868960
2-bromodibenzothiophene 5,5-dioxide
CID 554821
2-[5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]dibenzothiophene 5,5-dioxide
CID 163613885
2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]dibenzothiophene 5,5-dioxide
CID 169131621
[6-(5,5-dioxodibenzothiophen-3-yl)-3-pyridinyl]-dimethyl-phenylsilane
CID 140720125

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1-phenylpyrazol-4-yl)dibenzothiophene 5,5-dioxide;rhodium?
The IUPAC name of 2-(5-methyl-1-phenylpyrazol-4-yl)dibenzothiophene 5,5-dioxide;rhodium (CID 162463196) is 2-(5-methyl-1-phenylpyrazol-4-yl)dibenzothiophene 5,5-dioxide;rhodium.
What is the SMILES notation for 2-(5-methyl-1-phenylpyrazol-4-yl)dibenzothiophene 5,5-dioxide;rhodium?
The canonical SMILES for 2-(5-methyl-1-phenylpyrazol-4-yl)dibenzothiophene 5,5-dioxide;rhodium is Cc1c(-c2ccc3c(c2)-c2ccccc2S3(=O)=O)cnn1-c1[c-]cccc1.[Rh].
What is the InChIKey of 2-(5-methyl-1-phenylpyrazol-4-yl)dibenzothiophene 5,5-dioxide;rhodium?
The InChIKey is OUJQBTHUAYEZCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N2O2S.Rh/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;/h2-7,9-14H,1H3;/q-1;.
What are the key properties of 2-(5-methyl-1-phenylpyrazol-4-yl)dibenzothiophene 5,5-dioxide;rhodium?
2-(5-methyl-1-phenylpyrazol-4-yl)dibenzothiophene 5,5-dioxide;rhodium has a molecular weight of 474.35 g/mol, XLogP of 4.46, 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;rhodium is sourced from PubChem (CID 162463196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).