3-ethyl-5-methylsulfonyl-2H-indazole

C10H12N2O2S — CID 123885743

IUPAC3-ethyl-5-methylsulfonyl-2H-indazole
SMILESCCc1[nH]nc2ccc(S(C)(=O)=O)cc12
InChIInChI=1S/C10H12N2O2S/c1-3-9-8-6-7(15(2,13)14)4-5-10(8)12-11-9/h4-6H,3H2,1-2H3,(H,11,12)
InChIKeyZTPMPPCBGYKQNT-UHFFFAOYSA-N
MW224.28 g/mol
LogP1.53
Rot. Bonds2

About 3-ethyl-5-methylsulfonyl-2H-indazole

3-ethyl-5-methylsulfonyl-2H-indazole (PubChem CID 123885743) has the molecular formula C10H12N2O2S and a molecular weight of 224.28 g/mol. Its IUPAC name is 3-ethyl-5-methylsulfonyl-2H-indazole.

Molecular Properties

Compound Name3-ethyl-5-methylsulfonyl-2H-indazole
PubChem CID123885743
Molecular FormulaC10H12N2O2S
Molecular Weight224.28 g/mol
Exact Mass224.06
IUPAC Name3-ethyl-5-methylsulfonyl-2H-indazole
SMILESCCc1[nH]nc2ccc(S(C)(=O)=O)cc12
InChIInChI=1S/C10H12N2O2S/c1-3-9-8-6-7(15(2,13)14)4-5-10(8)12-11-9/h4-6H,3H2,1-2H3,(H,11,12)
InChIKeyZTPMPPCBGYKQNT-UHFFFAOYSA-N
XLogP1.53
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-methylsulfonyl-2H-indazole?
The IUPAC name of 3-ethyl-5-methylsulfonyl-2H-indazole (CID 123885743) is 3-ethyl-5-methylsulfonyl-2H-indazole.
What is the SMILES notation for 3-ethyl-5-methylsulfonyl-2H-indazole?
The canonical SMILES for 3-ethyl-5-methylsulfonyl-2H-indazole is CCc1[nH]nc2ccc(S(C)(=O)=O)cc12.
What is the InChIKey of 3-ethyl-5-methylsulfonyl-2H-indazole?
The InChIKey is ZTPMPPCBGYKQNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2S/c1-3-9-8-6-7(15(2,13)14)4-5-10(8)12-11-9/h4-6H,3H2,1-2H3,(H,11,12).
What are the key properties of 3-ethyl-5-methylsulfonyl-2H-indazole?
3-ethyl-5-methylsulfonyl-2H-indazole has a molecular weight of 224.28 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-methylsulfonyl-2H-indazole is sourced from PubChem (CID 123885743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).