3-sulfonylindazole

C7H4N2O2S — CID 22065950

IUPAC3-sulfonylindazole
SMILESO=S(=O)=C1N=Nc2ccccc21
InChIInChI=1S/C7H4N2O2S/c10-12(11)7-5-3-1-2-4-6(5)8-9-7/h1-4H
InChIKeyDDJYYJIWIYUTRV-UHFFFAOYSA-N
MW180.19 g/mol
LogP1.14
Rot. Bonds

About 3-sulfonylindazole

3-sulfonylindazole (PubChem CID 22065950) has the molecular formula C7H4N2O2S and a molecular weight of 180.19 g/mol. Its IUPAC name is 3-sulfonylindazole.

Molecular Properties

Compound Name3-sulfonylindazole
PubChem CID22065950
Molecular FormulaC7H4N2O2S
Molecular Weight180.19 g/mol
Exact Mass180.00
IUPAC Name3-sulfonylindazole
SMILESO=S(=O)=C1N=Nc2ccccc21
InChIInChI=1S/C7H4N2O2S/c10-12(11)7-5-3-1-2-4-6(5)8-9-7/h1-4H
InChIKeyDDJYYJIWIYUTRV-UHFFFAOYSA-N
XLogP1.14
TPSA58.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.19
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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hexane;bis(indazol-3-one)
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3-pyridin-2-yl-5,6-disulfonyl-1,2,4-triazine
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2-(3-oxoindol-2-yl)indene-1,3-dione
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1,2-benzodiazonin-7-one
CID 67428589
dibenzothiophene 5-oxide
CID 13898
CID 67824005
CID 67824005
anthracene-9,10-dione;hydrofluoride
CID 172728823
CID 66807709
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Frequently Asked Questions

What is the IUPAC name of 3-sulfonylindazole?
The IUPAC name of 3-sulfonylindazole (CID 22065950) is 3-sulfonylindazole.
What is the SMILES notation for 3-sulfonylindazole?
The canonical SMILES for 3-sulfonylindazole is O=S(=O)=C1N=Nc2ccccc21.
What is the InChIKey of 3-sulfonylindazole?
The InChIKey is DDJYYJIWIYUTRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4N2O2S/c10-12(11)7-5-3-1-2-4-6(5)8-9-7/h1-4H.
What are the key properties of 3-sulfonylindazole?
3-sulfonylindazole has a molecular weight of 180.19 g/mol, XLogP of 1.14, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-sulfonylindazole is sourced from PubChem (CID 22065950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).