3-(benzenesulfonyl)-2H-indazole

C13H10N2O2S — CID 22250312

IUPAC3-(benzenesulfonyl)-2H-indazole
SMILESO=S(=O)(c1ccccc1)c1[nH]nc2ccccc12
InChIInChI=1S/C13H10N2O2S/c16-18(17,10-6-2-1-3-7-10)13-11-8-4-5-9-12(11)14-15-13/h1-9H,(H,14,15)
InChIKeyJVNLPNNZJMCKLB-UHFFFAOYSA-N
MW258.30 g/mol
LogP2.40
Rot. Bonds2

About 3-(benzenesulfonyl)-2H-indazole

3-(benzenesulfonyl)-2H-indazole (PubChem CID 22250312) has the molecular formula C13H10N2O2S and a molecular weight of 258.30 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-2H-indazole.

Molecular Properties

Compound Name3-(benzenesulfonyl)-2H-indazole
PubChem CID22250312
Molecular FormulaC13H10N2O2S
Molecular Weight258.30 g/mol
Exact Mass258.05
IUPAC Name3-(benzenesulfonyl)-2H-indazole
SMILESO=S(=O)(c1ccccc1)c1[nH]nc2ccccc12
InChIInChI=1S/C13H10N2O2S/c16-18(17,10-6-2-1-3-7-10)13-11-8-4-5-9-12(11)14-15-13/h1-9H,(H,14,15)
InChIKeyJVNLPNNZJMCKLB-UHFFFAOYSA-N
XLogP2.40
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(benzenesulfonyl)-2H-indazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-2H-indazole?
The IUPAC name of 3-(benzenesulfonyl)-2H-indazole (CID 22250312) is 3-(benzenesulfonyl)-2H-indazole.
What is the SMILES notation for 3-(benzenesulfonyl)-2H-indazole?
The canonical SMILES for 3-(benzenesulfonyl)-2H-indazole is O=S(=O)(c1ccccc1)c1[nH]nc2ccccc12.
What is the InChIKey of 3-(benzenesulfonyl)-2H-indazole?
The InChIKey is JVNLPNNZJMCKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2S/c16-18(17,10-6-2-1-3-7-10)13-11-8-4-5-9-12(11)14-15-13/h1-9H,(H,14,15).
What are the key properties of 3-(benzenesulfonyl)-2H-indazole?
3-(benzenesulfonyl)-2H-indazole has a molecular weight of 258.30 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-2H-indazole is sourced from PubChem (CID 22250312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).