7-bromo-4-chloro-3-(methylsulfonylmethyl)-1-(2,2,2-trifluoroethyl)indazole

C11H9BrClF3N2O2S — CID 149073563

IUPAC7-bromo-4-chloro-3-(methylsulfonylmethyl)-1-(2,2,2-trifluoroethyl)indazole
SMILESCS(=O)(=O)Cc1nn(CC(F)(F)F)c2c(Br)ccc(Cl)c12
InChIInChI=1S/C11H9BrClF3N2O2S/c1-21(19,20)4-8-9-7(13)3-2-6(12)10(9)18(17-8)5-11(14,15)16/h2-3H,4-5H2,1H3
InChIKeyQOLRVOGUPKOAQD-UHFFFAOYSA-N
MW405.62 g/mol
LogP3.56
Rot. Bonds3

About 7-bromo-4-chloro-3-(methylsulfonylmethyl)-1-(2,2,2-trifluoroethyl)indazole

7-bromo-4-chloro-3-(methylsulfonylmethyl)-1-(2,2,2-trifluoroethyl)indazole (PubChem CID 149073563) has the molecular formula C11H9BrClF3N2O2S and a molecular weight of 405.62 g/mol. Its IUPAC name is 7-bromo-4-chloro-3-(methylsulfonylmethyl)-1-(2,2,2-trifluoroethyl)indazole.

Molecular Properties

Compound Name7-bromo-4-chloro-3-(methylsulfonylmethyl)-1-(2,2,2-trifluoroethyl)indazole
PubChem CID149073563
Molecular FormulaC11H9BrClF3N2O2S
Molecular Weight405.62 g/mol
Exact Mass403.92
IUPAC Name7-bromo-4-chloro-3-(methylsulfonylmethyl)-1-(2,2,2-trifluoroethyl)indazole
SMILESCS(=O)(=O)Cc1nn(CC(F)(F)F)c2c(Br)ccc(Cl)c12
InChIInChI=1S/C11H9BrClF3N2O2S/c1-21(19,20)4-8-9-7(13)3-2-6(12)10(9)18(17-8)5-11(14,15)16/h2-3H,4-5H2,1H3
InChIKeyQOLRVOGUPKOAQD-UHFFFAOYSA-N
XLogP3.56
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.62
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-4-chloro-3-(methylsulfonylmethyl)-1-(2,2,2-trifluoroethyl)indazole?
The IUPAC name of 7-bromo-4-chloro-3-(methylsulfonylmethyl)-1-(2,2,2-trifluoroethyl)indazole (CID 149073563) is 7-bromo-4-chloro-3-(methylsulfonylmethyl)-1-(2,2,2-trifluoroethyl)indazole.
What is the SMILES notation for 7-bromo-4-chloro-3-(methylsulfonylmethyl)-1-(2,2,2-trifluoroethyl)indazole?
The canonical SMILES for 7-bromo-4-chloro-3-(methylsulfonylmethyl)-1-(2,2,2-trifluoroethyl)indazole is CS(=O)(=O)Cc1nn(CC(F)(F)F)c2c(Br)ccc(Cl)c12.
What is the InChIKey of 7-bromo-4-chloro-3-(methylsulfonylmethyl)-1-(2,2,2-trifluoroethyl)indazole?
The InChIKey is QOLRVOGUPKOAQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrClF3N2O2S/c1-21(19,20)4-8-9-7(13)3-2-6(12)10(9)18(17-8)5-11(14,15)16/h2-3H,4-5H2,1H3.
What are the key properties of 7-bromo-4-chloro-3-(methylsulfonylmethyl)-1-(2,2,2-trifluoroethyl)indazole?
7-bromo-4-chloro-3-(methylsulfonylmethyl)-1-(2,2,2-trifluoroethyl)indazole has a molecular weight of 405.62 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-4-chloro-3-(methylsulfonylmethyl)-1-(2,2,2-trifluoroethyl)indazole is sourced from PubChem (CID 149073563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).