7-(4-fluorophenyl)-1-(4-methoxyphenyl)sulfonylindole

C21H16FNO3S — CID 66757291

IUPAC7-(4-fluorophenyl)-1-(4-methoxyphenyl)sulfonylindole
SMILESCOc1ccc(S(=O)(=O)n2ccc3cccc(-c4ccc(F)cc4)c32)cc1
InChIInChI=1S/C21H16FNO3S/c1-26-18-9-11-19(12-10-18)27(24,25)23-14-13-16-3-2-4-20(21(16)23)15-5-7-17(22)8-6-15/h2-14H,1H3
InChIKeyREKZQGLTUMEWRE-UHFFFAOYSA-N
MW381.43 g/mol
LogP4.69
Rot. Bonds4

About 7-(4-fluorophenyl)-1-(4-methoxyphenyl)sulfonylindole

7-(4-fluorophenyl)-1-(4-methoxyphenyl)sulfonylindole (PubChem CID 66757291) has the molecular formula C21H16FNO3S and a molecular weight of 381.43 g/mol. Its IUPAC name is 7-(4-fluorophenyl)-1-(4-methoxyphenyl)sulfonylindole.

Molecular Properties

Compound Name7-(4-fluorophenyl)-1-(4-methoxyphenyl)sulfonylindole
PubChem CID66757291
Molecular FormulaC21H16FNO3S
Molecular Weight381.43 g/mol
Exact Mass381.08
IUPAC Name7-(4-fluorophenyl)-1-(4-methoxyphenyl)sulfonylindole
SMILESCOc1ccc(S(=O)(=O)n2ccc3cccc(-c4ccc(F)cc4)c32)cc1
InChIInChI=1S/C21H16FNO3S/c1-26-18-9-11-19(12-10-18)27(24,25)23-14-13-16-3-2-4-20(21(16)23)15-5-7-17(22)8-6-15/h2-14H,1H3
InChIKeyREKZQGLTUMEWRE-UHFFFAOYSA-N
XLogP4.69
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(4-fluorophenyl)-1-(4-methoxyphenyl)sulfonylindole?
The IUPAC name of 7-(4-fluorophenyl)-1-(4-methoxyphenyl)sulfonylindole (CID 66757291) is 7-(4-fluorophenyl)-1-(4-methoxyphenyl)sulfonylindole.
What is the SMILES notation for 7-(4-fluorophenyl)-1-(4-methoxyphenyl)sulfonylindole?
The canonical SMILES for 7-(4-fluorophenyl)-1-(4-methoxyphenyl)sulfonylindole is COc1ccc(S(=O)(=O)n2ccc3cccc(-c4ccc(F)cc4)c32)cc1.
What is the InChIKey of 7-(4-fluorophenyl)-1-(4-methoxyphenyl)sulfonylindole?
The InChIKey is REKZQGLTUMEWRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FNO3S/c1-26-18-9-11-19(12-10-18)27(24,25)23-14-13-16-3-2-4-20(21(16)23)15-5-7-17(22)8-6-15/h2-14H,1H3.
What are the key properties of 7-(4-fluorophenyl)-1-(4-methoxyphenyl)sulfonylindole?
7-(4-fluorophenyl)-1-(4-methoxyphenyl)sulfonylindole has a molecular weight of 381.43 g/mol, XLogP of 4.69, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-fluorophenyl)-1-(4-methoxyphenyl)sulfonylindole is sourced from PubChem (CID 66757291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).