7-(4-fluorophenyl)-1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindole

C21H18FNO3S — CID 66757744

IUPAC7-(4-fluorophenyl)-1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindole
SMILESCOc1ccc(S(=O)(=O)N2CCc3cccc(-c4ccc(F)cc4)c32)cc1
InChIInChI=1S/C21H18FNO3S/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/h2-12H,13-14H2,1H3
InChIKeyGJVIHMFOZUMEJJ-UHFFFAOYSA-N
MW383.44 g/mol
LogP4.25
Rot. Bonds4

About 7-(4-fluorophenyl)-1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindole

7-(4-fluorophenyl)-1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindole (PubChem CID 66757744) has the molecular formula C21H18FNO3S and a molecular weight of 383.44 g/mol. Its IUPAC name is 7-(4-fluorophenyl)-1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindole.

Molecular Properties

Compound Name7-(4-fluorophenyl)-1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindole
PubChem CID66757744
Molecular FormulaC21H18FNO3S
Molecular Weight383.44 g/mol
Exact Mass383.10
IUPAC Name7-(4-fluorophenyl)-1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindole
SMILESCOc1ccc(S(=O)(=O)N2CCc3cccc(-c4ccc(F)cc4)c32)cc1
InChIInChI=1S/C21H18FNO3S/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/h2-12H,13-14H2,1H3
InChIKeyGJVIHMFOZUMEJJ-UHFFFAOYSA-N
XLogP4.25
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.44
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(4-fluorophenyl)-1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindole?
The IUPAC name of 7-(4-fluorophenyl)-1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindole (CID 66757744) is 7-(4-fluorophenyl)-1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindole.
What is the SMILES notation for 7-(4-fluorophenyl)-1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindole?
The canonical SMILES for 7-(4-fluorophenyl)-1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindole is COc1ccc(S(=O)(=O)N2CCc3cccc(-c4ccc(F)cc4)c32)cc1.
What is the InChIKey of 7-(4-fluorophenyl)-1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindole?
The InChIKey is GJVIHMFOZUMEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FNO3S/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/h2-12H,13-14H2,1H3.
What are the key properties of 7-(4-fluorophenyl)-1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindole?
7-(4-fluorophenyl)-1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindole has a molecular weight of 383.44 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-fluorophenyl)-1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindole is sourced from PubChem (CID 66757744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).