3-benzylsulfonyl-2H-indazole

C14H12N2O2S — CID 67466166

IUPAC3-benzylsulfonyl-2H-indazole
SMILESO=S(=O)(Cc1ccccc1)c1[nH]nc2ccccc12
InChIInChI=1S/C14H12N2O2S/c17-19(18,10-11-6-2-1-3-7-11)14-12-8-4-5-9-13(12)15-16-14/h1-9H,10H2,(H,15,16)
InChIKeyQWDYMBJLNLWEKT-UHFFFAOYSA-N
MW272.33 g/mol
LogP2.54
Rot. Bonds3

About 3-benzylsulfonyl-2H-indazole

3-benzylsulfonyl-2H-indazole (PubChem CID 67466166) has the molecular formula C14H12N2O2S and a molecular weight of 272.33 g/mol. Its IUPAC name is 3-benzylsulfonyl-2H-indazole.

Molecular Properties

Compound Name3-benzylsulfonyl-2H-indazole
PubChem CID67466166
Molecular FormulaC14H12N2O2S
Molecular Weight272.33 g/mol
Exact Mass272.06
IUPAC Name3-benzylsulfonyl-2H-indazole
SMILESO=S(=O)(Cc1ccccc1)c1[nH]nc2ccccc12
InChIInChI=1S/C14H12N2O2S/c17-19(18,10-11-6-2-1-3-7-11)14-12-8-4-5-9-13(12)15-16-14/h1-9H,10H2,(H,15,16)
InChIKeyQWDYMBJLNLWEKT-UHFFFAOYSA-N
XLogP2.54
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-benzylsulfonyl-2H-indazole?
The IUPAC name of 3-benzylsulfonyl-2H-indazole (CID 67466166) is 3-benzylsulfonyl-2H-indazole.
What is the SMILES notation for 3-benzylsulfonyl-2H-indazole?
The canonical SMILES for 3-benzylsulfonyl-2H-indazole is O=S(=O)(Cc1ccccc1)c1[nH]nc2ccccc12.
What is the InChIKey of 3-benzylsulfonyl-2H-indazole?
The InChIKey is QWDYMBJLNLWEKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2S/c17-19(18,10-11-6-2-1-3-7-11)14-12-8-4-5-9-13(12)15-16-14/h1-9H,10H2,(H,15,16).
What are the key properties of 3-benzylsulfonyl-2H-indazole?
3-benzylsulfonyl-2H-indazole has a molecular weight of 272.33 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzylsulfonyl-2H-indazole is sourced from PubChem (CID 67466166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).