2-(4-ethylsulfonylphenyl)-6-(trifluoromethyl)indazole

C16H13F3N2O2S — CID 174749087

IUPAC2-(4-ethylsulfonylphenyl)-6-(trifluoromethyl)indazole
SMILESCCS(=O)(=O)c1ccc(-n2cc3ccc(C(F)(F)F)cc3n2)cc1
InChIInChI=1S/C16H13F3N2O2S/c1-2-24(22,23)14-7-5-13(6-8-14)21-10-11-3-4-12(16(17,18)19)9-15(11)20-21/h3-10H,2H2,1H3
InChIKeyGPNUABPPMWCJNU-UHFFFAOYSA-N
MW354.35 g/mol
LogP3.84
Rot. Bonds3

About 2-(4-ethylsulfonylphenyl)-6-(trifluoromethyl)indazole

2-(4-ethylsulfonylphenyl)-6-(trifluoromethyl)indazole (PubChem CID 174749087) has the molecular formula C16H13F3N2O2S and a molecular weight of 354.35 g/mol. Its IUPAC name is 2-(4-ethylsulfonylphenyl)-6-(trifluoromethyl)indazole.

Molecular Properties

Compound Name2-(4-ethylsulfonylphenyl)-6-(trifluoromethyl)indazole
PubChem CID174749087
Molecular FormulaC16H13F3N2O2S
Molecular Weight354.35 g/mol
Exact Mass354.06
IUPAC Name2-(4-ethylsulfonylphenyl)-6-(trifluoromethyl)indazole
SMILESCCS(=O)(=O)c1ccc(-n2cc3ccc(C(F)(F)F)cc3n2)cc1
InChIInChI=1S/C16H13F3N2O2S/c1-2-24(22,23)14-7-5-13(6-8-14)21-10-11-3-4-12(16(17,18)19)9-15(11)20-21/h3-10H,2H2,1H3
InChIKeyGPNUABPPMWCJNU-UHFFFAOYSA-N
XLogP3.84
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.35
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylsulfonylphenyl)-6-(trifluoromethyl)indazole?
The IUPAC name of 2-(4-ethylsulfonylphenyl)-6-(trifluoromethyl)indazole (CID 174749087) is 2-(4-ethylsulfonylphenyl)-6-(trifluoromethyl)indazole.
What is the SMILES notation for 2-(4-ethylsulfonylphenyl)-6-(trifluoromethyl)indazole?
The canonical SMILES for 2-(4-ethylsulfonylphenyl)-6-(trifluoromethyl)indazole is CCS(=O)(=O)c1ccc(-n2cc3ccc(C(F)(F)F)cc3n2)cc1.
What is the InChIKey of 2-(4-ethylsulfonylphenyl)-6-(trifluoromethyl)indazole?
The InChIKey is GPNUABPPMWCJNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N2O2S/c1-2-24(22,23)14-7-5-13(6-8-14)21-10-11-3-4-12(16(17,18)19)9-15(11)20-21/h3-10H,2H2,1H3.
What are the key properties of 2-(4-ethylsulfonylphenyl)-6-(trifluoromethyl)indazole?
2-(4-ethylsulfonylphenyl)-6-(trifluoromethyl)indazole has a molecular weight of 354.35 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylsulfonylphenyl)-6-(trifluoromethyl)indazole is sourced from PubChem (CID 174749087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).