4-(3-methylsulfonylphenyl)-6-(trifluoromethyl)-1H-indazole

C15H11F3N2O2S — CID 71735863

IUPAC4-(3-methylsulfonylphenyl)-6-(trifluoromethyl)-1H-indazole
SMILESCS(=O)(=O)c1cccc(-c2cc(C(F)(F)F)cc3[nH]ncc23)c1
InChIInChI=1S/C15H11F3N2O2S/c1-23(21,22)11-4-2-3-9(5-11)12-6-10(15(16,17)18)7-14-13(12)8-19-20-14/h2-8H,1H3,(H,19,20)
InChIKeyGVAGZDPWTOGFLU-UHFFFAOYSA-N
MW340.33 g/mol
LogP3.65
Rot. Bonds2

About 4-(3-methylsulfonylphenyl)-6-(trifluoromethyl)-1H-indazole

4-(3-methylsulfonylphenyl)-6-(trifluoromethyl)-1H-indazole (PubChem CID 71735863) has the molecular formula C15H11F3N2O2S and a molecular weight of 340.33 g/mol. Its IUPAC name is 4-(3-methylsulfonylphenyl)-6-(trifluoromethyl)-1H-indazole.

Molecular Properties

Compound Name4-(3-methylsulfonylphenyl)-6-(trifluoromethyl)-1H-indazole
PubChem CID71735863
Molecular FormulaC15H11F3N2O2S
Molecular Weight340.33 g/mol
Exact Mass340.05
IUPAC Name4-(3-methylsulfonylphenyl)-6-(trifluoromethyl)-1H-indazole
SMILESCS(=O)(=O)c1cccc(-c2cc(C(F)(F)F)cc3[nH]ncc23)c1
InChIInChI=1S/C15H11F3N2O2S/c1-23(21,22)11-4-2-3-9(5-11)12-6-10(15(16,17)18)7-14-13(12)8-19-20-14/h2-8H,1H3,(H,19,20)
InChIKeyGVAGZDPWTOGFLU-UHFFFAOYSA-N
XLogP3.65
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.33
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 71735205
CID 71735205
CID 90645460
CID 90645460
CID 127046306
CID 127046306
CID 16280260
CID 16280260
CID 57391111
CID 57391111
CID 90645461
CID 90645461
CID 90645464
CID 90645464
CID 127046586
CID 127046586
CID 2517424
CID 2517424
CID 4142281
CID 4142281
CID 17446157
CID 17446157
CID 118712909
CID 118712909

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylsulfonylphenyl)-6-(trifluoromethyl)-1H-indazole?
The IUPAC name of 4-(3-methylsulfonylphenyl)-6-(trifluoromethyl)-1H-indazole (CID 71735863) is 4-(3-methylsulfonylphenyl)-6-(trifluoromethyl)-1H-indazole.
What is the SMILES notation for 4-(3-methylsulfonylphenyl)-6-(trifluoromethyl)-1H-indazole?
The canonical SMILES for 4-(3-methylsulfonylphenyl)-6-(trifluoromethyl)-1H-indazole is CS(=O)(=O)c1cccc(-c2cc(C(F)(F)F)cc3[nH]ncc23)c1.
What is the InChIKey of 4-(3-methylsulfonylphenyl)-6-(trifluoromethyl)-1H-indazole?
The InChIKey is GVAGZDPWTOGFLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N2O2S/c1-23(21,22)11-4-2-3-9(5-11)12-6-10(15(16,17)18)7-14-13(12)8-19-20-14/h2-8H,1H3,(H,19,20).
What are the key properties of 4-(3-methylsulfonylphenyl)-6-(trifluoromethyl)-1H-indazole?
4-(3-methylsulfonylphenyl)-6-(trifluoromethyl)-1H-indazole has a molecular weight of 340.33 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylsulfonylphenyl)-6-(trifluoromethyl)-1H-indazole is sourced from PubChem (CID 71735863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).