7-fluoro-1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)benzo[g]indazole

C19H12F4N2O2S — CID 21467445

IUPAC7-fluoro-1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)benzo[g]indazole
SMILESCS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)c3ccc4cc(F)ccc4c32)cc1
InChIInChI=1S/C19H12F4N2O2S/c1-28(26,27)14-6-4-13(5-7-14)25-17-15-9-3-12(20)10-11(15)2-8-16(17)18(24-25)19(21,22)23/h2-10H,1H3
InChIKeyOCVWFRHVKJJGKE-UHFFFAOYSA-N
MW408.38 g/mol
LogP4.74
Rot. Bonds2

About 7-fluoro-1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)benzo[g]indazole

7-fluoro-1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)benzo[g]indazole (PubChem CID 21467445) has the molecular formula C19H12F4N2O2S and a molecular weight of 408.38 g/mol. Its IUPAC name is 7-fluoro-1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)benzo[g]indazole.

Molecular Properties

Compound Name7-fluoro-1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)benzo[g]indazole
PubChem CID21467445
Molecular FormulaC19H12F4N2O2S
Molecular Weight408.38 g/mol
Exact Mass408.06
IUPAC Name7-fluoro-1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)benzo[g]indazole
SMILESCS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)c3ccc4cc(F)ccc4c32)cc1
InChIInChI=1S/C19H12F4N2O2S/c1-28(26,27)14-6-4-13(5-7-14)25-17-15-9-3-12(20)10-11(15)2-8-16(17)18(24-25)19(21,22)23/h2-10H,1H3
InChIKeyOCVWFRHVKJJGKE-UHFFFAOYSA-N
XLogP4.74
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.38
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)benzo[g]indazole?
The IUPAC name of 7-fluoro-1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)benzo[g]indazole (CID 21467445) is 7-fluoro-1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)benzo[g]indazole.
What is the SMILES notation for 7-fluoro-1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)benzo[g]indazole?
The canonical SMILES for 7-fluoro-1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)benzo[g]indazole is CS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)c3ccc4cc(F)ccc4c32)cc1.
What is the InChIKey of 7-fluoro-1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)benzo[g]indazole?
The InChIKey is OCVWFRHVKJJGKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F4N2O2S/c1-28(26,27)14-6-4-13(5-7-14)25-17-15-9-3-12(20)10-11(15)2-8-16(17)18(24-25)19(21,22)23/h2-10H,1H3.
What are the key properties of 7-fluoro-1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)benzo[g]indazole?
7-fluoro-1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)benzo[g]indazole has a molecular weight of 408.38 g/mol, XLogP of 4.74, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)benzo[g]indazole is sourced from PubChem (CID 21467445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).