2-(2-ethylsulfinylphenyl)-6-(trifluoromethyl)indazole

C16H13F3N2OS — CID 72704067

IUPAC2-(2-ethylsulfinylphenyl)-6-(trifluoromethyl)indazole
SMILESCCS(=O)c1ccccc1-n1cc2ccc(C(F)(F)F)cc2n1
InChIInChI=1S/C16H13F3N2OS/c1-2-23(22)15-6-4-3-5-14(15)21-10-11-7-8-12(16(17,18)19)9-13(11)20-21/h3-10H,2H2,1H3
InChIKeyAFVGGUBDNBTODB-UHFFFAOYSA-N
MW338.35 g/mol
LogP4.17
Rot. Bonds3

About 2-(2-ethylsulfinylphenyl)-6-(trifluoromethyl)indazole

2-(2-ethylsulfinylphenyl)-6-(trifluoromethyl)indazole (PubChem CID 72704067) has the molecular formula C16H13F3N2OS and a molecular weight of 338.35 g/mol. Its IUPAC name is 2-(2-ethylsulfinylphenyl)-6-(trifluoromethyl)indazole.

Molecular Properties

Compound Name2-(2-ethylsulfinylphenyl)-6-(trifluoromethyl)indazole
PubChem CID72704067
Molecular FormulaC16H13F3N2OS
Molecular Weight338.35 g/mol
Exact Mass338.07
IUPAC Name2-(2-ethylsulfinylphenyl)-6-(trifluoromethyl)indazole
SMILESCCS(=O)c1ccccc1-n1cc2ccc(C(F)(F)F)cc2n1
InChIInChI=1S/C16H13F3N2OS/c1-2-23(22)15-6-4-3-5-14(15)21-10-11-7-8-12(16(17,18)19)9-13(11)20-21/h3-10H,2H2,1H3
InChIKeyAFVGGUBDNBTODB-UHFFFAOYSA-N
XLogP4.17
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.35
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylsulfinylphenyl)-6-(trifluoromethyl)indazole?
The IUPAC name of 2-(2-ethylsulfinylphenyl)-6-(trifluoromethyl)indazole (CID 72704067) is 2-(2-ethylsulfinylphenyl)-6-(trifluoromethyl)indazole.
What is the SMILES notation for 2-(2-ethylsulfinylphenyl)-6-(trifluoromethyl)indazole?
The canonical SMILES for 2-(2-ethylsulfinylphenyl)-6-(trifluoromethyl)indazole is CCS(=O)c1ccccc1-n1cc2ccc(C(F)(F)F)cc2n1.
What is the InChIKey of 2-(2-ethylsulfinylphenyl)-6-(trifluoromethyl)indazole?
The InChIKey is AFVGGUBDNBTODB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N2OS/c1-2-23(22)15-6-4-3-5-14(15)21-10-11-7-8-12(16(17,18)19)9-13(11)20-21/h3-10H,2H2,1H3.
What are the key properties of 2-(2-ethylsulfinylphenyl)-6-(trifluoromethyl)indazole?
2-(2-ethylsulfinylphenyl)-6-(trifluoromethyl)indazole has a molecular weight of 338.35 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylsulfinylphenyl)-6-(trifluoromethyl)indazole is sourced from PubChem (CID 72704067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).